CID 6335209

Bis(2-cyanoethyl)phosphine oxide

Structural Information

Molecular Formula
C6H8N2OP
SMILES
C(C[P+](=O)CCC#N)C#N
InChI
InChI=1S/C6H8N2OP/c7-3-1-5-10(9)6-2-4-8/h1-2,5-6H2/q+1
InChIKey
DSIQDXZNQNRKSD-UHFFFAOYSA-N
Compound name
bis(2-cyanoethyl)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

155.03743 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04471 135.7
[M+Na]+ 178.02665 144.7
[M-H]- 154.03015 137.6
[M+NH4]+ 173.07125 150.0
[M+K]+ 194.00059 140.4
[M+H-H2O]+ 138.03469 122.4
[M+HCOO]- 200.03563 152.0
[M+CH3COO]- 214.05128 208.1
[M+Na-2H]- 176.01210 139.0
[M]+ 155.03688 129.4
[M]- 155.03798 129.4
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

patents stripe