CID 583776

2-aminophenylacetic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC=C(C(=C1)CC(=O)O)N
InChI
InChI=1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
KHMNCHDUSFCTGK-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1445
Patents

151.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.0
[M+Na]+ 174.05254 141.2
[M+NH4]+ 169.09714 137.9
[M+K]+ 190.02648 136.3
[M-H]- 150.05604 131.6
[M+Na-2H]- 172.03799 136.1
[M]+ 151.06277 131.8
[M]- 151.06387 131.8
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