CID 5142454

Isopropyl n-(2-chloro-6-methylphenyl)carbamate

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC(C)C
InChI
InChI=1S/C11H14ClNO2/c1-7(2)15-11(14)13-10-8(3)5-4-6-9(10)12/h4-7H,1-3H3,(H,13,14)
InChIKey
JUYNSNPNCJFKMU-UHFFFAOYSA-N
Compound name
propan-2-yl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 148.5
[M+Na]+ 250.06052 156.7
[M-H]- 226.06402 152.5
[M+NH4]+ 245.10512 167.7
[M+K]+ 266.03446 153.7
[M+H-H2O]+ 210.06856 143.5
[M+HCOO]- 272.06950 167.6
[M+CH3COO]- 286.08515 191.9
[M+Na-2H]- 248.04597 151.6
[M]+ 227.07075 152.0
[M]- 227.07185 152.0
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

No patent data available for this compound.