CID 1563

2-hydroxytetradecanoic acid

Structural Information

Molecular Formula
C14H28O3
SMILES
CCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKey
JYZJYKOZGGEXSX-UHFFFAOYSA-N
Compound name
2-hydroxytetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

4585
Patents

244.20384 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.21112 163.0
[M+Na]+ 267.19306 169.8
[M+NH4]+ 262.23766 168.1
[M+K]+ 283.16700 164.7
[M-H]- 243.19656 160.0
[M+Na-2H]- 265.17851 162.6
[M]+ 244.20329 162.7
[M]- 244.20439 162.7
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