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

15
Patents

232.16747 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.174746 159.7
[M+Na]+ 255.156688 162.6
[M-H]- 231.160194 154.7
[M+NH4]+ 250.201293 175.2
[M+K]+ 271.130628 160.8
[M+H-H2O]+ 215.164730 154.3
[M+HCOO]- 277.165671 175.1
[M+CH3COO]- 291.181321 187.1
[M+Na-2H]- 253.142136 158.1
[M]+ 232.16692142 160.6
[M]- 232.16801858 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