CID 99412

74038-26-9

Structural Information

Molecular Formula
C16H24N4P2
SMILES
C(CCP(CCC#N)CCC#N)CP(CCC#N)CCC#N
InChI
InChI=1S/C16H24N4P2/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-6,11-16H2
InChIKey
NHLZQBLVODMATA-UHFFFAOYSA-N
Compound name
3-[4-[bis(2-cyanoethyl)phosphanyl]butyl-(2-cyanoethyl)phosphanyl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1476 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15488 207.7
[M+Na]+ 357.13682 209.1
[M+NH4]+ 352.18142 205.8
[M+K]+ 373.11076 203.0
[M-H]- 333.14032 201.8
[M+Na-2H]- 355.12227 203.2
[M]+ 334.14705 205.6
[M]- 334.14815 205.6
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.