CID 1516028

3-(aminomethyl)-4-hydroxybenzoic acid hydrochloride

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=C(C=C1C(=O)O)CN)O
InChI
InChI=1S/C8H9NO3/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3,10H,4,9H2,(H,11,12)
InChIKey
URPIPCOBYJOTAX-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

167.05824 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.8
[M+Na]+ 190.04746 140.7
[M-H]- 166.05096 133.9
[M+NH4]+ 185.09206 151.6
[M+K]+ 206.02140 138.3
[M+H-H2O]+ 150.05550 127.5
[M+HCOO]- 212.05644 154.9
[M+CH3COO]- 226.07209 176.0
[M+Na-2H]- 188.03291 137.1
[M]+ 167.05769 130.6
[M]- 167.05879 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

No literature data available for this compound.

Patent stripe

patents stripe