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
1
Annotation Hits

0
References

53
Patents

236.21402 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 159.3
[M+Na]+ 259.20324 168.1
[M+NH4]+ 254.24784 166.5
[M+K]+ 275.17718 160.9
[M-H]- 235.20674 161.6
[M+Na-2H]- 257.18869 163.1
[M]+ 236.21347 160.7
[M]- 236.21457 160.7
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