CID 53843

Brn 1868273

Structural Information

Molecular Formula
C7H14Cl2N2O2
SMILES
CCOC(=O)NN(CCCl)CCCl
InChI
InChI=1S/C7H14Cl2N2O2/c1-2-13-7(12)10-11(5-3-8)6-4-9/h2-6H2,1H3,(H,10,12)
InChIKey
SPENQMHGOSGLRT-UHFFFAOYSA-N
Compound name
ethyl N-[bis(2-chloroethyl)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04323 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05051 148.9
[M+Na]+ 251.03245 155.4
[M-H]- 227.03595 149.7
[M+NH4]+ 246.07705 168.3
[M+K]+ 267.00639 153.0
[M+H-H2O]+ 211.04049 144.9
[M+HCOO]- 273.04143 165.1
[M+CH3COO]- 287.05708 194.3
[M+Na-2H]- 249.01790 152.5
[M]+ 228.04268 154.3
[M]- 228.04378 154.3
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.