CID 9442556

2-amino-3-methoxy-5-methylbenzoic acid hydrochloride

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC1=CC(=C(C(=C1)OC)N)C(=O)O
InChI
InChI=1S/C9H11NO3/c1-5-3-6(9(11)12)8(10)7(4-5)13-2/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey
MZBBOQIBKZOHDX-UHFFFAOYSA-N
Compound name
2-amino-3-methoxy-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.3
[M+Na]+ 204.06312 145.1
[M-H]- 180.06662 139.1
[M+NH4]+ 199.10772 155.6
[M+K]+ 220.03706 143.5
[M+H-H2O]+ 164.07116 130.9
[M+HCOO]- 226.07210 159.6
[M+CH3COO]- 240.08775 182.7
[M+Na-2H]- 202.04857 139.9
[M]+ 181.07335 136.7
[M]- 181.07445 136.7
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