CID 58566618

Methyl 2-amino-5-chloro-3-methoxybenzoate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
COC1=CC(=CC(=C1N)C(=O)OC)Cl
InChI
InChI=1S/C9H10ClNO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,11H2,1-2H3
InChIKey
NBXIKQUSMLUZEI-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-chloro-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

215.03493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 141.7
[M+Na]+ 238.02415 151.8
[M-H]- 214.02765 145.8
[M+NH4]+ 233.06875 161.4
[M+K]+ 253.99809 149.1
[M+H-H2O]+ 198.03219 137.1
[M+HCOO]- 260.03313 162.1
[M+CH3COO]- 274.04878 188.3
[M+Na-2H]- 236.00960 145.4
[M]+ 215.03438 146.0
[M]- 215.03548 146.0
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