CID 62873713

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

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC1=CC(=CC(=C1N)C(=O)O)OC
InChI
InChI=1S/C9H11NO3/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey
XXPURUMOXCPQJB-UHFFFAOYSA-N
Compound name
2-amino-5-methoxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 136.3
[M+Na]+ 204.063118 145.1
[M-H]- 180.066624 139.1
[M+NH4]+ 199.107723 155.6
[M+K]+ 220.037058 143.5
[M+H-H2O]+ 164.071160 130.9
[M+HCOO]- 226.072101 159.6
[M+CH3COO]- 240.087751 182.7
[M+Na-2H]- 202.048566 139.9
[M]+ 181.07335142 136.7
[M]- 181.07444858 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