CID 1514158

40851-65-8

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1=CC=C(C(=C1)CC(=O)O)CN
InChI
InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKey
VLOIVYPDUSVCLZ-UHFFFAOYSA-N
Compound name
2-[2-(aminomethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

386
Patents

165.07898 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.3
[M+Na]+ 188.06820 141.3
[M-H]- 164.07170 136.3
[M+NH4]+ 183.11280 153.7
[M+K]+ 204.04214 139.0
[M+H-H2O]+ 148.07624 128.6
[M+HCOO]- 210.07718 157.4
[M+CH3COO]- 224.09283 178.1
[M+Na-2H]- 186.05365 139.2
[M]+ 165.07843 132.4
[M]- 165.07953 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe