CID 53426540

Auqjnswuhbmlgo-uhfffaoysa-n

Structural Information

Molecular Formula
C17H26O
SMILES
CC1C2CC(C(C1C=CC(=O)C)C=C2C)C(C)C
InChI
InChI=1S/C17H26O/c1-10(2)15-9-16-11(3)8-17(15)14(13(16)5)7-6-12(4)18/h6-8,10,13-17H,9H2,1-5H3
InChIKey
AUQJNSWUHBMLGO-UHFFFAOYSA-N
Compound name
4-(3,5-dimethyl-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

246.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 164.8
[M+Na]+ 269.187578 169.0
[M-H]- 245.191084 161.5
[M+NH4]+ 264.232183 187.3
[M+K]+ 285.161518 165.4
[M+H-H2O]+ 229.195620 160.5
[M+HCOO]- 291.196561 173.8
[M+CH3COO]- 305.212211 205.9
[M+Na-2H]- 267.173026 168.2
[M]+ 246.19781142 167.5
[M]- 246.19890858 167.5
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.