CID 17039

Upjohn 12927

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 143.3
[M+Na]+ 236.04487 153.2
[M-H]- 212.04837 147.8
[M+NH4]+ 231.08947 163.5
[M+K]+ 252.01881 150.0
[M+H-H2O]+ 196.05291 138.7
[M+HCOO]- 258.05385 163.8
[M+CH3COO]- 272.06950 189.2
[M+Na-2H]- 234.03032 147.5
[M]+ 213.05510 147.4
[M]- 213.05620 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.