CID 56842129

6-cyclopentadecen-1-one, 3-methyl-

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CC/C=C/CCCCCCCCC(=O)C1
InChI
InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h6,8,15H,2-5,7,9-14H2,1H3/b8-6+
InChIKey
FKYHJXQZWSXLFK-SOFGYWHQSA-N
Compound name
(6E)-3-methylcyclopentadec-6-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

236.21402 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 157.2
[M+Na]+ 259.203238 158.9
[M-H]- 235.206744 157.9
[M+NH4]+ 254.247843 171.6
[M+K]+ 275.177178 157.3
[M+H-H2O]+ 219.211280 154.2
[M+HCOO]- 281.212221 172.9
[M+CH3COO]- 295.227871 184.5
[M+Na-2H]- 257.188686 157.1
[M]+ 236.21347142 145.8
[M]- 236.21456858 145.8
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

patents stripe