CID 58348

Brn 1743652

Structural Information

Molecular Formula
C8H18Cl2N2
SMILES
CN(CCN(C)CCCl)CCCl
InChI
InChI=1S/C8H18Cl2N2/c1-11(5-3-9)7-8-12(2)6-4-10/h3-8H2,1-2H3
InChIKey
IQTIIWMCKYNPDY-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09198 149.8
[M+Na]+ 235.07392 155.9
[M-H]- 211.07742 151.6
[M+NH4]+ 230.11852 170.5
[M+K]+ 251.04786 153.7
[M+H-H2O]+ 195.08196 145.4
[M+HCOO]- 257.08290 166.2
[M+CH3COO]- 271.09855 198.3
[M+Na-2H]- 233.05937 153.2
[M]+ 212.08415 155.4
[M]- 212.08525 155.4
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.