CID 55350

(z)-2-((dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCOC(=O)[C@@]1(C[C@@H]1CN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-4-10-19-15(18)16(11-14(16)12-17(2)3)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3/t14-,16+/m1/s1
InChIKey
IKAJUOJCFVXTST-ZBFHGGJFSA-N
Compound name
propyl (1R,2S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.1
[M+Na]+ 284.16210 175.6
[M+NH4]+ 279.20670 172.9
[M+K]+ 300.13604 168.8
[M-H]- 260.16560 173.7
[M+Na-2H]- 282.14755 173.5
[M]+ 261.17233 169.1
[M]- 261.17343 169.1
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.