CID 102605

1323-22-4

Structural Information

Molecular Formula
C19H41O5P
SMILES
CCCCC(CC)COP(=O)(OCCCO)OCC(CC)CCCC
InChI
InChI=1S/C19H41O5P/c1-5-9-12-18(7-3)16-23-25(21,22-15-11-14-20)24-17-19(8-4)13-10-6-2/h18-20H,5-17H2,1-4H3
InChIKey
BCTXZRALYNHADC-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 3-hydroxypropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.26917 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.27645 205.5
[M+Na]+ 403.25839 204.9
[M-H]- 379.26189 191.3
[M+NH4]+ 398.30299 202.2
[M+K]+ 419.23233 205.1
[M+H-H2O]+ 363.26643 196.4
[M+HCOO]- 425.26737 211.0
[M+CH3COO]- 439.28302 221.4
[M+Na-2H]- 401.24384 200.4
[M]+ 380.26862 199.4
[M]- 380.26972 199.4
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.