CID 3057169

Phosphoric acid, tris(1-cyanobutyl) ester

Structural Information

Molecular Formula
C15H24N3O3P
SMILES
CCCC(C#N)OP(OC(CCC)C#N)OC(CCC)C#N
InChI
InChI=1S/C15H24N3O3P/c1-4-7-13(10-16)19-22(20-14(11-17)8-5-2)21-15(12-18)9-6-3/h13-15H,4-9H2,1-3H3
InChIKey
PPRKBJMNDAJXBM-UHFFFAOYSA-N
Compound name
tris(1-cyanobutyl) phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15552 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16280 164.5
[M+Na]+ 348.14474 169.6
[M-H]- 324.14824 167.1
[M+NH4]+ 343.18934 170.6
[M+K]+ 364.11868 169.2
[M+H-H2O]+ 308.15278 151.0
[M+HCOO]- 370.15372 170.8
[M+CH3COO]- 384.16937 245.2
[M+Na-2H]- 346.13019 161.2
[M]+ 325.15497 160.0
[M]- 325.15607 160.0
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.