CID 116839

Diphosphoric acid, triisoamyl ester

Structural Information

Molecular Formula
C15H34O7P2
SMILES
CC(C)CCOP(=O)(O)OP(=O)(OCCC(C)C)OCCC(C)C
InChI
InChI=1S/C15H34O7P2/c1-13(2)7-10-19-23(16,17)22-24(18,20-11-8-14(3)4)21-12-9-15(5)6/h13-15H,7-12H2,1-6H3,(H,16,17)
InChIKey
JEAXWMPPPGJBFX-UHFFFAOYSA-N
Compound name
[hydroxy(3-methylbutoxy)phosphoryl] bis(3-methylbutyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18526 194.4
[M+Na]+ 411.16720 198.9
[M-H]- 387.17070 192.4
[M+NH4]+ 406.21180 201.9
[M+K]+ 427.14114 193.3
[M+H-H2O]+ 371.17524 180.1
[M+HCOO]- 433.17618 206.5
[M+CH3COO]- 447.19183 221.1
[M+Na-2H]- 409.15265 181.9
[M]+ 388.17743 193.8
[M]- 388.17853 193.8
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.