CID 113140

63217-12-9

Structural Information

Molecular Formula
C14H31O8P
SMILES
CCCCCCOCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C14H31O8P/c1-2-3-4-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22-23(15,16)17/h2-14H2,1H3,(H2,15,16,17)
InChIKey
ZCJFTNUEUAISRV-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

358.17566 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18294 186.7
[M+Na]+ 381.16488 192.9
[M-H]- 357.16838 182.3
[M+NH4]+ 376.20948 189.7
[M+K]+ 397.13882 188.9
[M+H-H2O]+ 341.17292 177.6
[M+HCOO]- 403.17386 206.6
[M+CH3COO]- 417.18951 208.8
[M+Na-2H]- 379.15033 187.1
[M]+ 358.17511 189.2
[M]- 358.17621 189.2
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

patents stripe