CID 71587796

Oleth-2 phosphate

Structural Information

Molecular Formula
C22H45O6P
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C22H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-27-21-22-28-29(23,24)25/h9-10H,2-8,11-22H2,1H3,(H2,23,24,25)/b10-9-
InChIKey
YIPZWBXSAAHJHV-KTKRTIGZSA-N
Compound name
2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

436.29538 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.30266 211.7
[M+Na]+ 459.28460 214.1
[M-H]- 435.28810 199.8
[M+NH4]+ 454.32920 209.4
[M+K]+ 475.25854 209.2
[M+H-H2O]+ 419.29264 202.0
[M+HCOO]- 481.29358 225.3
[M+CH3COO]- 495.30923 226.7
[M+Na-2H]- 457.27005 196.0
[M]+ 436.29483 209.1
[M]- 436.29593 209.1
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