CID 56756

N,n'-ethylenebis(n-(2-chloroethyl)glycinonitrile) hydrochloride

Structural Information

Molecular Formula
C10H16Cl2N4
SMILES
C(CN(CCCl)CC#N)N(CCCl)CC#N
InChI
InChI=1S/C10H16Cl2N4/c11-1-5-15(7-3-13)9-10-16(6-2-12)8-4-14/h1-2,5-10H2
InChIKey
HYAXZZJEJNHBCE-UHFFFAOYSA-N
Compound name
2-[2-chloroethyl-[2-[2-chloroethyl(cyanomethyl)amino]ethyl]amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08248 160.4
[M+Na]+ 285.06442 168.3
[M-H]- 261.06792 163.1
[M+NH4]+ 280.10902 172.7
[M+K]+ 301.03836 165.7
[M+H-H2O]+ 245.07246 146.4
[M+HCOO]- 307.07340 168.4
[M+CH3COO]- 321.08905 230.2
[M+Na-2H]- 283.04987 161.4
[M]+ 262.07465 156.6
[M]- 262.07575 156.6
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.