CID 3064681

Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans-

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)[C@@]1(C[C@H]1CN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-4-18-14(17)15(10-13(15)11-16(2)3)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-,15-/m0/s1
InChIKey
QKRSXNKJLFBCJR-ZFWWWQNUSA-N
Compound name
ethyl (1R,2R)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 157.0
[M+Na]+ 270.14645 164.8
[M-H]- 246.14995 165.8
[M+NH4]+ 265.19105 172.0
[M+K]+ 286.12039 163.6
[M+H-H2O]+ 230.15449 150.6
[M+HCOO]- 292.15543 181.0
[M+CH3COO]- 306.17108 202.6
[M+Na-2H]- 268.13190 161.4
[M]+ 247.15668 163.0
[M]- 247.15778 163.0
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.