CID 23424444

2,3-dihydroxylaurate

Structural Information

Molecular Formula
C12H24O4
SMILES
CCCCCCCCCC(C(C(=O)O)O)O
InChI
InChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-9-10(13)11(14)12(15)16/h10-11,13-14H,2-9H2,1H3,(H,15,16)
InChIKey
JJIJQULYODNGKJ-UHFFFAOYSA-N
Compound name
2,3-dihydroxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

232.16747 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17475 159.7
[M+Na]+ 255.15669 162.6
[M-H]- 231.16019 154.7
[M+NH4]+ 250.20129 175.2
[M+K]+ 271.13063 160.8
[M+H-H2O]+ 215.16473 154.3
[M+HCOO]- 277.16567 175.1
[M+CH3COO]- 291.18132 187.1
[M+Na-2H]- 253.14214 158.1
[M]+ 232.16692 160.6
[M]- 232.16802 160.6
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