CID 456114

13-oxa-3oh-myristic acid

Structural Information

Molecular Formula
C13H26O4
SMILES
COCCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C13H26O4/c1-17-10-8-6-4-2-3-5-7-9-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
InChIKey
REZAAOCFOOVNID-UHFFFAOYSA-N
Compound name
3-hydroxy-12-methoxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1831 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19038 163.3
[M+Na]+ 269.17232 166.4
[M-H]- 245.17582 159.4
[M+NH4]+ 264.21692 179.1
[M+K]+ 285.14626 164.8
[M+H-H2O]+ 229.18036 157.4
[M+HCOO]- 291.18130 180.9
[M+CH3COO]- 305.19695 191.7
[M+Na-2H]- 267.15777 163.0
[M]+ 246.18255 167.1
[M]- 246.18365 167.1
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.