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

50
Patents

215.03493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 141.7
[M+Na]+ 238.024148 151.8
[M-H]- 214.027654 145.8
[M+NH4]+ 233.068753 161.4
[M+K]+ 253.998088 149.1
[M+H-H2O]+ 198.032190 137.1
[M+HCOO]- 260.033131 162.1
[M+CH3COO]- 274.048781 188.3
[M+Na-2H]- 236.009596 145.4
[M]+ 215.03438142 146.0
[M]- 215.03547858 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