CID 75665

Tripentyl phosphate

Structural Information

Molecular Formula
C15H33O4P
SMILES
CCCCCOP(=O)(OCCCCC)OCCCCC
InChI
InChI=1S/C15H33O4P/c1-4-7-10-13-17-20(16,18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3
InChIKey
QJAVUVZBMMXBRO-UHFFFAOYSA-N
Compound name
tripentyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8755
Patents

308.21164 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21892 183.5
[M+Na]+ 331.20086 187.2
[M-H]- 307.20436 181.0
[M+NH4]+ 326.24546 199.2
[M+K]+ 347.17480 186.0
[M+H-H2O]+ 291.20890 174.9
[M+HCOO]- 353.20984 209.0
[M+CH3COO]- 367.22549 208.8
[M+Na-2H]- 329.18631 183.1
[M]+ 308.21109 194.6
[M]- 308.21219 194.6
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