CID 176472487

Tp1/5-cyclopentadecen-1-one, 3-methyl-

Structural Information

Molecular Formula
C16H30O3
SMILES
CC1CC(C(CCCCCCCCCC(=O)C1)O)O
InChI
InChI=1S/C16H30O3/c1-13-11-14(17)9-7-5-3-2-4-6-8-10-15(18)16(19)12-13/h13,15-16,18-19H,2-12H2,1H3
InChIKey
FIEGBVFDCYJNEB-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-3-methylcyclopentadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.21948 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.226756 166.5
[M+Na]+ 293.208698 168.2
[M-H]- 269.212204 164.8
[M+NH4]+ 288.253303 178.5
[M+K]+ 309.182638 166.0
[M+H-H2O]+ 253.216740 164.3
[M+HCOO]- 315.217681 178.1
[M+CH3COO]- 329.233331 186.2
[M+Na-2H]- 291.194146 163.2
[M]+ 270.21893142 153.8
[M]- 270.22002858 153.8
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.