CID 93686

Z4pj4qz0ko

Structural Information

Molecular Formula
C16H26O
SMILES
CC1CC(=CCC1(C)C(=O)C)CCC=C(C)C
InChI
InChI=1S/C16H26O/c1-12(2)7-6-8-15-9-10-16(5,14(4)17)13(3)11-15/h7,9,13H,6,8,10-11H2,1-5H3
InChIKey
QKKSNZVRCDPKTC-UHFFFAOYSA-N
Compound name
1-[1,6-dimethyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

234.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 156.7
[M+Na]+ 257.187578 162.2
[M-H]- 233.191084 159.8
[M+NH4]+ 252.232183 177.1
[M+K]+ 273.161518 159.7
[M+H-H2O]+ 217.195620 151.9
[M+HCOO]- 279.196561 174.8
[M+CH3COO]- 293.212211 196.4
[M+Na-2H]- 255.173026 156.9
[M]+ 234.19781142 156.2
[M]- 234.19890858 156.2
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

patents stripe