CID 147011

26248-23-7

Structural Information

Molecular Formula
C18H36O5
SMILES
CCCCCCCCCCCCCCCC(C(C(=O)O)(O)O)O
InChI
InChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18(22,23)17(20)21/h16,19,22-23H,2-15H2,1H3,(H,20,21)
InChIKey
UFNQGWYXYWLWMU-UHFFFAOYSA-N
Compound name
2,2,3-trihydroxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

742
Patents

332.2563 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.263576 188.2
[M+Na]+ 355.245518 188.6
[M-H]- 331.249024 180.8
[M+NH4]+ 350.290123 199.0
[M+K]+ 371.219458 185.2
[M+H-H2O]+ 315.253560 182.3
[M+HCOO]- 377.254501 199.7
[M+CH3COO]- 391.270151 204.1
[M+Na-2H]- 353.230966 185.4
[M]+ 332.25575142 191.1
[M]- 332.25684858 191.1
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

No patent data available for this compound.