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

584
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 137.0
[M+Na]+ 204.06312 148.5
[M+NH4]+ 199.10772 144.4
[M+K]+ 220.03706 143.7
[M-H]- 180.06662 138.6
[M+Na-2H]- 202.04857 142.7
[M]+ 181.07335 138.8
[M]- 181.07445 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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