CID 12636

2-chloro-3,4-xylyl methylcarbamate

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC1=C(C(=C(C=C1)OC(=O)NC)Cl)C
InChI
InChI=1S/C10H12ClNO2/c1-6-4-5-8(9(11)7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKey
FNAAOMSRAVKQGQ-UHFFFAOYSA-N
Compound name
(2-chloro-3,4-dimethylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3992
Patents

213.05565 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.062926 143.3
[M+Na]+ 236.044868 153.2
[M-H]- 212.048374 147.8
[M+NH4]+ 231.089473 163.5
[M+K]+ 252.018808 150.0
[M+H-H2O]+ 196.052910 138.7
[M+HCOO]- 258.053851 163.8
[M+CH3COO]- 272.069501 189.2
[M+Na-2H]- 234.030316 147.5
[M]+ 213.05510142 147.4
[M]- 213.05619858 147.4
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.