CID 3064679

Cis-2-(aminomethyl)-1-phenylcyclopropanecarboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1[C@@H]([C@]1(C2=CC=CC=C2)C(=O)O)CN
InChI
InChI=1S/C11H13NO2/c12-7-9-6-11(9,10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-,11+/m1/s1
InChIKey
RKFHJXBVMPGLRG-KOLCDFICSA-N
Compound name
(1R,2S)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

191.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 138.4
[M+Na]+ 214.08386 147.3
[M-H]- 190.08736 144.7
[M+NH4]+ 209.12846 153.9
[M+K]+ 230.05780 144.4
[M+H-H2O]+ 174.09190 133.3
[M+HCOO]- 236.09284 161.2
[M+CH3COO]- 250.10849 185.5
[M+Na-2H]- 212.06931 144.3
[M]+ 191.09409 139.3
[M]- 191.09519 139.3
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.