CID 47003404

2-amino-3-methoxy-6-methylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 137.1
[M+Na]+ 204.06312 148.4
[M+NH4]+ 199.10772 144.2
[M+K]+ 220.03706 144.1
[M-H]- 180.06662 138.2
[M+Na-2H]- 202.04857 141.9
[M]+ 181.07335 138.7
[M]- 181.07445 138.7
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