CID 55253603

4-[(r)-amino(cyclopropyl)methyl]benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC1[C@H](C2=CC=C(C=C2)C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-10(7-1-2-7)8-3-5-9(6-4-8)11(13)14/h3-7,10H,1-2,12H2,(H,13,14)/t10-/m1/s1
InChIKey
JSOWOZUVXFSJCQ-SNVBAGLBSA-N
Compound name
4-[(R)-amino(cyclopropyl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 136.8
[M+Na]+ 214.083858 144.7
[M-H]- 190.087364 142.7
[M+NH4]+ 209.128463 150.3
[M+K]+ 230.057798 141.2
[M+H-H2O]+ 174.091900 130.6
[M+HCOO]- 236.092841 159.0
[M+CH3COO]- 250.108491 186.8
[M+Na-2H]- 212.069306 140.6
[M]+ 191.09409142 136.6
[M]- 191.09518858 136.6
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.