CID 77638

Bis(2-cyanoethyl)phosphine

Structural Information

Molecular Formula
C6H9N2P
SMILES
C(CPCCC#N)C#N
InChI
InChI=1S/C6H9N2P/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
InChIKey
BMNCJOAMYDWZAS-UHFFFAOYSA-N
Compound name
3-(2-cyanoethylphosphanyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

140.05034 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05762 129.8
[M+Na]+ 163.03956 138.9
[M-H]- 139.04306 131.5
[M+NH4]+ 158.08416 144.9
[M+K]+ 179.01350 137.8
[M+H-H2O]+ 123.04760 114.8
[M+HCOO]- 185.04854 146.8
[M+CH3COO]- 199.06419 211.4
[M+Na-2H]- 161.02501 132.7
[M]+ 140.04979 124.4
[M]- 140.05089 124.4
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

patents stripe