CID 14533

4-aminophenylacetic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC(=CC=C1CC(=O)O)N
InChI
InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
CSEWAUGPAQPMDC-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

5719
Patents

151.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.6
[M+Na]+ 174.052538 137.1
[M-H]- 150.056044 131.8
[M+NH4]+ 169.097143 149.6
[M+K]+ 190.026478 135.0
[M+H-H2O]+ 134.060580 124.2
[M+HCOO]- 196.061521 153.1
[M+CH3COO]- 210.077171 175.0
[M+Na-2H]- 172.037986 135.1
[M]+ 151.06277142 127.4
[M]- 151.06386858 127.4
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