CID 104300842

Methyl 3-amino-4-chloro-5-methylbenzoate hydrochloride

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC1=CC(=CC(=C1Cl)N)C(=O)OC
InChI
InChI=1S/C9H10ClNO2/c1-5-3-6(9(12)13-2)4-7(11)8(5)10/h3-4H,11H2,1-2H3
InChIKey
FDZWSBXZDDWBMX-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-chloro-5-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.0
[M+Na]+ 222.02923 149.3
[M-H]- 198.03273 143.1
[M+NH4]+ 217.07383 159.4
[M+K]+ 238.00317 145.9
[M+H-H2O]+ 182.03727 134.7
[M+HCOO]- 244.03821 159.2
[M+CH3COO]- 258.05386 186.2
[M+Na-2H]- 220.01468 142.7
[M]+ 199.03946 141.9
[M]- 199.04056 141.9
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

No patent data available for this compound.