CID 213168

(2-chloroethyl)carbamic acid 2-methyl-2-propyltrimethylene ester

Structural Information

Molecular Formula
C13H24Cl2N2O4
SMILES
CC(C)C(C(C)COC(=O)NCCCl)OC(=O)NCCCl
InChI
InChI=1S/C13H24Cl2N2O4/c1-9(2)11(21-13(19)17-7-5-15)10(3)8-20-12(18)16-6-4-14/h9-11H,4-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
VQPXUQSWNNJBIB-UHFFFAOYSA-N
Compound name
[3-(2-chloroethylcarbamoyloxy)-2,4-dimethylpentyl] N-(2-chloroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1113 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11858 178.9
[M+Na]+ 365.10052 182.4
[M-H]- 341.10402 178.0
[M+NH4]+ 360.14512 193.1
[M+K]+ 381.07446 179.8
[M+H-H2O]+ 325.10856 174.6
[M+HCOO]- 387.10950 190.0
[M+CH3COO]- 401.12515 213.8
[M+Na-2H]- 363.08597 175.9
[M]+ 342.11075 185.3
[M]- 342.11185 185.3
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.