CID 70196

Phosphoric acid, triisoamyl ester

Structural Information

Molecular Formula
C15H33O4P
SMILES
CC(C)CCOP(=O)(OCCC(C)C)OCCC(C)C
InChI
InChI=1S/C15H33O4P/c1-13(2)7-10-17-20(16,18-11-8-14(3)4)19-12-9-15(5)6/h13-15H,7-12H2,1-6H3
InChIKey
YQLIHRFKJJQBAF-UHFFFAOYSA-N
Compound name
tris(3-methylbutyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

308.21164 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21892 183.4
[M+Na]+ 331.20086 186.5
[M-H]- 307.20436 181.3
[M+NH4]+ 326.24546 187.8
[M+K]+ 347.17480 186.9
[M+H-H2O]+ 291.20890 175.3
[M+HCOO]- 353.20984 206.0
[M+CH3COO]- 367.22549 211.0
[M+Na-2H]- 329.18631 179.5
[M]+ 308.21109 192.6
[M]- 308.21219 192.6
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