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

39
Patents

181.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.0
[M+Na]+ 204.06312 145.0
[M-H]- 180.06662 139.4
[M+NH4]+ 199.10772 156.1
[M+K]+ 220.03706 143.3
[M+H-H2O]+ 164.07116 131.4
[M+HCOO]- 226.07210 160.4
[M+CH3COO]- 240.08775 180.7
[M+Na-2H]- 202.04857 141.3
[M]+ 181.07335 136.9
[M]- 181.07445 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