CID 176472481

5-hydroxycyclohexadecan-1-one

Structural Information

Molecular Formula
C16H30O2
SMILES
C1CCCCCC(CCCC(=O)CCCCC1)O
InChI
InChI=1S/C16H30O2/c17-15-11-8-6-4-2-1-3-5-7-9-12-16(18)14-10-13-15/h15,17H,1-14H2
InChIKey
DNCYBPHYPMBFFH-UHFFFAOYSA-N
Compound name
5-hydroxycyclohexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.22458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 163.2
[M+Na]+ 277.213798 163.1
[M-H]- 253.217304 162.2
[M+NH4]+ 272.258403 175.7
[M+K]+ 293.187738 161.4
[M+H-H2O]+ 237.221840 160.3
[M+HCOO]- 299.222781 175.6
[M+CH3COO]- 313.238431 183.3
[M+Na-2H]- 275.199246 161.4
[M]+ 254.22403142 148.7
[M]- 254.22512858 148.7
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.