CID 3057161

73972-72-2

Structural Information

Molecular Formula
C14H25N2O4P
SMILES
CCCCOP(=O)(OC(CCC)C#N)OC(CCC)C#N
InChI
InChI=1S/C14H25N2O4P/c1-4-7-10-18-21(17,19-13(11-15)8-5-2)20-14(12-16)9-6-3/h13-14H,4-10H2,1-3H3
InChIKey
FEFCSDMBHZAGJM-UHFFFAOYSA-N
Compound name
butyl bis(1-cyanobutyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.15518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16246 185.8
[M+Na]+ 339.14440 190.4
[M+NH4]+ 334.18900 183.9
[M+K]+ 355.11834 182.0
[M-H]- 315.14790 172.6
[M+Na-2H]- 337.12985 181.1
[M]+ 316.15463 181.2
[M]- 316.15573 181.2
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.