CID 408395

1,3-propanediamine, n,n,n',n'-tetrakis(2-chloroethyl)-, hydrochloride

Structural Information

Molecular Formula
C11H22Cl4N2
SMILES
C(CN(CCCl)CCCl)CN(CCCl)CCCl
InChI
InChI=1S/C11H22Cl4N2/c12-2-8-16(9-3-13)6-1-7-17(10-4-14)11-5-15/h1-11H2
InChIKey
JNUUIIUTGBWUJG-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06098 176.6
[M+Na]+ 345.04292 181.0
[M-H]- 321.04642 174.9
[M+NH4]+ 340.08752 192.2
[M+K]+ 361.01686 176.2
[M+H-H2O]+ 305.05096 172.7
[M+HCOO]- 367.05190 180.8
[M+CH3COO]- 381.06755 216.7
[M+Na-2H]- 343.02837 175.7
[M]+ 322.05315 181.8
[M]- 322.05425 181.8
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.