CID 53426541

Ruvdkxhgoqtpoo-uhfffaoysa-n

Structural Information

Molecular Formula
C16H24O
SMILES
CC1=CC2C(CC1CC2C(C)C)C=CC(=O)C
InChI
InChI=1S/C16H24O/c1-10(2)15-9-14-8-13(6-5-12(4)17)16(15)7-11(14)3/h5-7,10,13-16H,8-9H2,1-4H3
InChIKey
RUVDKXHGOQTPOO-UHFFFAOYSA-N
Compound name
4-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 160.2
[M+Na]+ 255.171928 164.0
[M-H]- 231.175434 156.7
[M+NH4]+ 250.216533 182.9
[M+K]+ 271.145868 160.6
[M+H-H2O]+ 215.179970 155.8
[M+HCOO]- 277.180911 169.6
[M+CH3COO]- 291.196561 201.8
[M+Na-2H]- 253.157376 164.8
[M]+ 232.18216142 162.2
[M]- 232.18325858 162.2
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.