CID 3025000

97659-28-4

Structural Information

Molecular Formula
C15H26O
SMILES
CCC1(CC=C(C(=O)C1C(C)C)C(C)C)C
InChI
InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h8,10-11,13H,7,9H2,1-6H3
InChIKey
APXJDWRZHXGCPY-UHFFFAOYSA-N
Compound name
5-ethyl-5-methyl-2,6-di(propan-2-yl)cyclohex-2-en-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 151.8
[M+Na]+ 245.187578 158.3
[M-H]- 221.191084 155.4
[M+NH4]+ 240.232183 173.0
[M+K]+ 261.161518 156.7
[M+H-H2O]+ 205.195620 147.5
[M+HCOO]- 267.196561 170.0
[M+CH3COO]- 281.212211 196.1
[M+Na-2H]- 243.173026 152.0
[M]+ 222.19781142 152.1
[M]- 222.19890858 152.1
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.