CID 78360

15-hydroxypentadecanoic acid

Structural Information

Molecular Formula
C15H30O3
SMILES
C(CCCCCCCO)CCCCCCC(=O)O
InChI
InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)
InChIKey
BZUNJUAMQZRJIP-UHFFFAOYSA-N
Compound name
15-hydroxypentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2993
Patents

258.21948 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22676 169.1
[M+Na]+ 281.20870 171.6
[M-H]- 257.21220 164.8
[M+NH4]+ 276.25330 184.5
[M+K]+ 297.18264 168.5
[M+H-H2O]+ 241.21674 163.0
[M+HCOO]- 303.21768 186.8
[M+CH3COO]- 317.23333 194.8
[M+Na-2H]- 279.19415 169.0
[M]+ 258.21893 172.9
[M]- 258.22003 172.9
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