CID 14454551

9-hydroxypentadecanoic acid

Structural Information

Molecular Formula
C15H30O3
SMILES
CCCCCCC(CCCCCCCC(=O)O)O
InChI
InChI=1S/C15H30O3/c1-2-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChIKey
QJJOBOZUQBBKPB-UHFFFAOYSA-N
Compound name
9-hydroxypentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

258.21948 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22676 169.8
[M+Na]+ 281.20870 172.2
[M-H]- 257.21220 165.6
[M+NH4]+ 276.25330 185.2
[M+K]+ 297.18264 169.5
[M+H-H2O]+ 241.21674 163.8
[M+HCOO]- 303.21768 186.5
[M+CH3COO]- 317.23333 195.7
[M+Na-2H]- 279.19415 168.4
[M]+ 258.21893 173.0
[M]- 258.22003 173.0
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