CID 118097

33673-71-1

Structural Information

Molecular Formula
C13H20O
SMILES
CC=CC(=O)C1CCC(C=C1C)(C)C
InChI
InChI=1S/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3
InChIKey
NELDPSDYTZADSA-UHFFFAOYSA-N
Compound name
1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1776
Patents

192.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 146.4
[M+Na]+ 215.14063 158.0
[M+NH4]+ 210.18523 156.2
[M+K]+ 231.11457 149.3
[M-H]- 191.14413 148.3
[M+Na-2H]- 213.12608 152.5
[M]+ 192.15086 148.7
[M]- 192.15196 148.7
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