CID 18408222

3,12-dihydroxylaurate

Structural Information

Molecular Formula
C12H24O4
SMILES
C(CCCCC(CC(=O)O)O)CCCCO
InChI
InChI=1S/C12H24O4/c13-9-7-5-3-1-2-4-6-8-11(14)10-12(15)16/h11,13-14H,1-10H2,(H,15,16)
InChIKey
JGEFOCOPBYAGDE-UHFFFAOYSA-N
Compound name
3,12-dihydroxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

232.16747 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17475 159.3
[M+Na]+ 255.15669 162.4
[M-H]- 231.16019 154.1
[M+NH4]+ 250.20129 174.9
[M+K]+ 271.13063 160.1
[M+H-H2O]+ 215.16473 153.8
[M+HCOO]- 277.16567 175.6
[M+CH3COO]- 291.18132 186.2
[M+Na-2H]- 253.14214 159.0
[M]+ 232.16692 160.8
[M]- 232.16802 160.8
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