CID 176472586

8,9-dihydroxycyclohexadecan-1-one

Structural Information

Molecular Formula
C16H30O3
SMILES
C1CCCC(C(CCCCCCC(=O)CCC1)O)O
InChI
InChI=1S/C16H30O3/c17-14-10-6-2-1-3-8-12-15(18)16(19)13-9-5-4-7-11-14/h15-16,18-19H,1-13H2
InChIKey
PKYPLJBDWZZOGP-UHFFFAOYSA-N
Compound name
8,9-dihydroxycyclohexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.21948 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.226756 166.7
[M+Na]+ 293.208698 167.1
[M-H]- 269.212204 164.8
[M+NH4]+ 288.253303 178.2
[M+K]+ 309.182638 165.0
[M+H-H2O]+ 253.216740 164.2
[M+HCOO]- 315.217681 177.8
[M+CH3COO]- 329.233331 184.1
[M+Na-2H]- 291.194146 163.9
[M]+ 270.21893142 152.3
[M]- 270.22002858 152.3
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.