CID 113413

97692-44-9

Structural Information

Molecular Formula
C15H26O
SMILES
CCC1(CC(=O)C(=C(C)C)CC1C(C)C)C
InChI
InChI=1S/C15H26O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h11,13H,7-9H2,1-6H3
InChIKey
CLVSCAKIBKSJQX-UHFFFAOYSA-N
Compound name
5-ethyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 152.1
[M+Na]+ 245.187578 157.9
[M-H]- 221.191084 155.4
[M+NH4]+ 240.232183 173.2
[M+K]+ 261.161518 155.9
[M+H-H2O]+ 205.195620 148.0
[M+HCOO]- 267.196561 169.0
[M+CH3COO]- 281.212211 195.0
[M+Na-2H]- 243.173026 151.3
[M]+ 222.19781142 150.1
[M]- 222.19890858 150.1
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.