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]+ 229.050506 148.9
[M+Na]+ 251.032448 155.4
[M-H]- 227.035954 149.7
[M+NH4]+ 246.077053 168.3
[M+K]+ 267.006388 153.0
[M+H-H2O]+ 211.040490 144.9
[M+HCOO]- 273.041431 165.1
[M+CH3COO]- 287.057081 194.3
[M+Na-2H]- 249.017896 152.5
[M]+ 228.04268142 154.3
[M]- 228.04377858 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.