CID 4143722

56961-12-7

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)OCCCl
InChI
InChI=1S/C11H14ClNO2/c1-8-3-4-9(2)10(7-8)13-11(14)15-6-5-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey
SWEUILAIGJXZBV-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(2,5-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 148.6
[M+Na]+ 250.06052 157.1
[M-H]- 226.06402 152.5
[M+NH4]+ 245.10512 167.9
[M+K]+ 266.03446 153.6
[M+H-H2O]+ 210.06856 143.5
[M+HCOO]- 272.06950 168.7
[M+CH3COO]- 286.08515 191.0
[M+Na-2H]- 248.04597 152.9
[M]+ 227.07075 152.7
[M]- 227.07185 152.7
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.