CID 66646120

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

Structural Information

Molecular Formula
C16H28O
SMILES
CC1=CCCCCCCCCCCCC(=O)C1
InChI
InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h12H,2-11,13-14H2,1H3
InChIKey
XCTNBEARRRQBOE-UHFFFAOYSA-N
Compound name
3-methylcyclopentadec-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

192
Patents

236.21402 Da
Monoisotopic Mass

5.4
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

literature stripe

Patent stripe

patents stripe