CID 21754

5580-27-8

Structural Information

Molecular Formula
C9H17Cl2NO2
SMILES
CCOC(=O)N(CC(C)Cl)CC(C)Cl
InChI
InChI=1S/C9H17Cl2NO2/c1-4-14-9(13)12(5-7(2)10)6-8(3)11/h7-8H,4-6H2,1-3H3
InChIKey
AMZPPCYQXDTKCJ-UHFFFAOYSA-N
Compound name
ethyl N,N-bis(2-chloropropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06363 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07091 151.4
[M+Na]+ 264.05285 160.7
[M+NH4]+ 259.09745 158.5
[M+K]+ 280.02679 155.9
[M-H]- 240.05635 150.4
[M+Na-2H]- 262.03830 153.8
[M]+ 241.06308 152.7
[M]- 241.06418 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.