CID 55342

Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (z)-, maleate

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C(C)C)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C19H29NO2/c1-6-22-18(21)19(16-10-8-7-9-11-16)12-17(19)13-20(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3/t17-,19+/m1/s1
InChIKey
DPHGQUKOZNRPFO-MJGOQNOKSA-N
Compound name
cis-ethyl (1R,2S)-2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 172.2
[M+Na]+ 326.209038 177.7
[M-H]- 302.212544 180.3
[M+NH4]+ 321.253643 184.8
[M+K]+ 342.182978 176.6
[M+H-H2O]+ 286.217080 165.6
[M+HCOO]- 348.218021 193.0
[M+CH3COO]- 362.233671 215.7
[M+Na-2H]- 324.194486 172.5
[M]+ 303.21927142 178.4
[M]- 303.22036858 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.