CID 14609940

2-(2-methyl-2-propenyl)cyclododecan-1-one

Structural Information

Molecular Formula
C16H28O
SMILES
CC(=C)CC1CCCCCCCCCCC1=O
InChI
InChI=1S/C16H28O/c1-14(2)13-15-11-9-7-5-3-4-6-8-10-12-16(15)17/h15H,1,3-13H2,2H3
InChIKey
RSOBFXURUKCIKG-UHFFFAOYSA-N
Compound name
2-(2-methylprop-2-enyl)cyclododecan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

236.21402 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 158.4
[M+Na]+ 259.203238 159.9
[M-H]- 235.206744 158.1
[M+NH4]+ 254.247843 173.0
[M+K]+ 275.177178 158.1
[M+H-H2O]+ 219.211280 155.4
[M+HCOO]- 281.212221 173.2
[M+CH3COO]- 295.227871 188.0
[M+Na-2H]- 257.188686 156.6
[M]+ 236.21347142 148.0
[M]- 236.21456858 148.0
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