CID 251257

10,11-dihydroxy stearic acid

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCC(C(CCCCCCCCC(=O)O)O)O
InChI
InChI=1S/C18H36O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKey
YJVZPARIUKDPFS-UHFFFAOYSA-N
Compound name
10,11-dihydroxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

316.26135 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26863 186.6
[M+Na]+ 339.25057 187.0
[M-H]- 315.25407 180.4
[M+NH4]+ 334.29517 198.8
[M+K]+ 355.22451 183.8
[M+H-H2O]+ 299.25861 180.1
[M+HCOO]- 361.25955 200.0
[M+CH3COO]- 375.27520 204.9
[M+Na-2H]- 337.23602 181.9
[M]+ 316.26080 189.8
[M]- 316.26190 189.8
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