CID 20826205

Methyl 5-(aminomethyl)-2-hydroxybenzoate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(=O)C1=C(C=CC(=C1)CN)O
InChI
InChI=1S/C9H11NO3/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,5,10H2,1H3
InChIKey
GBALCHZEMJDMBG-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

181.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.0
[M+Na]+ 204.063118 145.0
[M-H]- 180.066624 139.4
[M+NH4]+ 199.107723 156.1
[M+K]+ 220.037058 143.3
[M+H-H2O]+ 164.071160 131.4
[M+HCOO]- 226.072101 160.4
[M+CH3COO]- 240.087751 180.7
[M+Na-2H]- 202.048566 141.3
[M]+ 181.07335142 136.9
[M]- 181.07444858 136.9
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