CID 4658381

Methyl n-(5-chloro-2-methylphenyl)carbamate

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)OC
InChI
InChI=1S/C9H10ClNO2/c1-6-3-4-7(10)5-8(6)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)
InChIKey
SGFPDXCURGTNBO-UHFFFAOYSA-N
Compound name
methyl N-(5-chloro-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.04001 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.2
[M+Na]+ 222.02923 148.5
[M-H]- 198.03273 143.4
[M+NH4]+ 217.07383 159.6
[M+K]+ 238.00317 145.5
[M+H-H2O]+ 182.03727 134.5
[M+HCOO]- 244.03821 160.0
[M+CH3COO]- 258.05386 184.9
[M+Na-2H]- 220.01468 144.6
[M]+ 199.03946 142.6
[M]- 199.04056 142.6
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