CID 2734814

Methyl 3-amino-4-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

624
Patents

181.0739 Da
Monoisotopic Mass

1.1
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