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 153.6
[M+Na]+ 357.13682 157.5
[M-H]- 333.14032 156.9
[M+NH4]+ 352.18142 157.1
[M+K]+ 373.11076 156.3
[M+H-H2O]+ 317.14486 145.2
[M+HCOO]- 379.14580 156.9
[M+CH3COO]- 393.16145 251.6
[M+Na-2H]- 355.12227 151.0
[M]+ 334.14705 150.0
[M]- 334.14815 150.0
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.