CID 132967161

1477494-86-2

Structural Information

Molecular Formula
C14H31O7P
SMILES
CCCCOCCOP(=O)(OCCO)OCCOCCCC
InChI
InChI=1S/C14H31O7P/c1-3-5-8-17-11-13-20-22(16,19-10-7-15)21-14-12-18-9-6-4-2/h15H,3-14H2,1-2H3
InChIKey
UQSRKBXTCXVEJL-UHFFFAOYSA-N
Compound name
bis(2-butoxyethyl) 2-hydroxyethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

342.18073 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18801 184.9
[M+Na]+ 365.16995 188.0
[M-H]- 341.17345 181.0
[M+NH4]+ 360.21455 188.7
[M+K]+ 381.14389 188.0
[M+H-H2O]+ 325.17799 175.9
[M+HCOO]- 387.17893 205.7
[M+CH3COO]- 401.19458 209.2
[M+Na-2H]- 363.15540 185.4
[M]+ 342.18018 197.9
[M]- 342.18128 197.9
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