CID 474819

[hydroxy(3-octadecoxypropoxy)phosphoryl]formic acid

Structural Information

Molecular Formula
C22H45O6P
SMILES
CCCCCCCCCCCCCCCCCCOCCCOP(=O)(C(=O)O)O
InChI
InChI=1S/C22H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-20-18-21-28-29(25,26)22(23)24/h2-21H2,1H3,(H,23,24)(H,25,26)
InChIKey
JGWODEIGOAWIDW-UHFFFAOYSA-N
Compound name
[hydroxy(3-octadecoxypropoxy)phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

436.29538 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.30266 210.8
[M+Na]+ 459.28460 213.8
[M-H]- 435.28810 200.3
[M+NH4]+ 454.32920 210.1
[M+K]+ 475.25854 209.4
[M+H-H2O]+ 419.29264 201.7
[M+HCOO]- 481.29358 222.0
[M+CH3COO]- 495.30923 228.1
[M+Na-2H]- 457.27005 195.8
[M]+ 436.29483 208.5
[M]- 436.29593 208.5
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.