CID 13052275

Methyl 2-amino-5-methoxybenzoate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC1=CC(=C(C=C1)N)C(=O)OC
InChI
InChI=1S/C9H11NO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,10H2,1-2H3
InChIKey
MOVBJUGHBJJKOW-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8143
Patents

181.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.3
[M+Na]+ 204.06312 144.7
[M-H]- 180.06662 140.2
[M+NH4]+ 199.10772 156.2
[M+K]+ 220.03706 143.9
[M+H-H2O]+ 164.07116 130.4
[M+HCOO]- 226.07210 161.2
[M+CH3COO]- 240.08775 183.2
[M+Na-2H]- 202.04857 141.1
[M]+ 181.07335 138.2
[M]- 181.07445 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe