CID 380223

Nsc665699

Structural Information

Molecular Formula
C20H34O
SMILES
CC1(CCCCCCCCCC(C1=O)(C)CC=C)CC=C
InChI
InChI=1S/C20H34O/c1-5-14-19(3)16-12-10-8-7-9-11-13-17-20(4,15-6-2)18(19)21/h5-6H,1-2,7-17H2,3-4H3
InChIKey
SDWQRGAGGRZOHA-UHFFFAOYSA-N
Compound name
2,12-dimethyl-2,12-bis(prop-2-enyl)cyclododecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 171.9
[M+Na]+ 313.25018 175.2
[M-H]- 289.25368 172.0
[M+NH4]+ 308.29478 188.7
[M+K]+ 329.22412 171.9
[M+H-H2O]+ 273.25822 170.1
[M+HCOO]- 335.25916 186.6
[M+CH3COO]- 349.27481 198.7
[M+Na-2H]- 311.23563 171.0
[M]+ 290.26041 163.9
[M]- 290.26151 163.9
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.