CID 151046

2820-31-7

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=C(C=C1CN)C(=O)O)O
InChI
InChI=1S/C8H9NO3/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,10H,4,9H2,(H,11,12)
InChIKey
IDKMYDUUWYPLCR-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

167.05824 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.8
[M+Na]+ 190.047458 140.7
[M-H]- 166.050964 133.9
[M+NH4]+ 185.092063 151.6
[M+K]+ 206.021398 138.3
[M+H-H2O]+ 150.055500 127.5
[M+HCOO]- 212.056441 154.9
[M+CH3COO]- 226.072091 176.0
[M+Na-2H]- 188.032906 137.1
[M]+ 167.05769142 130.6
[M]- 167.05878858 130.6
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