CID 42625

58050-43-4

Structural Information

Molecular Formula
C8H16Cl2N2O2
SMILES
CCOC(=O)NCN(CCCl)CCCl
InChI
InChI=1S/C8H16Cl2N2O2/c1-2-14-8(13)11-7-12(5-3-9)6-4-10/h2-7H2,1H3,(H,11,13)
InChIKey
YGUBDZVZXJLCNN-UHFFFAOYSA-N
Compound name
ethyl N-[bis(2-chloroethyl)aminomethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.05888 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06616 153.5
[M+Na]+ 265.04810 159.6
[M-H]- 241.05160 154.1
[M+NH4]+ 260.09270 172.4
[M+K]+ 281.02204 157.0
[M+H-H2O]+ 225.05614 149.3
[M+HCOO]- 287.05708 169.3
[M+CH3COO]- 301.07273 197.2
[M+Na-2H]- 263.03355 156.6
[M]+ 242.05833 159.3
[M]- 242.05943 159.3
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.