CID 171000

1,5-pentanediamine, n,n''-(dithiodi-2,1-ethanediyl)bis-

Structural Information

Molecular Formula
C14H34N4S2
SMILES
C(CCN)CCNCCSSCCNCCCCCN
InChI
InChI=1S/C14H34N4S2/c15-7-3-1-5-9-17-11-13-19-20-14-12-18-10-6-2-4-8-16/h17-18H,1-16H2
InChIKey
JGQQHHPUDOBAIV-UHFFFAOYSA-N
Compound name
N'-[2-[2-(5-aminopentylamino)ethyldisulfanyl]ethyl]pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.2225 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22978 168.2
[M+Na]+ 345.21172 168.2
[M-H]- 321.21522 164.5
[M+NH4]+ 340.25632 181.0
[M+K]+ 361.18566 161.6
[M+H-H2O]+ 305.21976 159.2
[M+HCOO]- 367.22070 180.1
[M+CH3COO]- 381.23635 217.8
[M+Na-2H]- 343.19717 166.6
[M]+ 322.22195 169.4
[M]- 322.22305 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.