CID 14109911

67401-25-6

Structural Information

Molecular Formula
C13H20O
SMILES
C/C=C\CC1=C(C(=O)CCC1(C)C)C
InChI
InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-
InChIKey
CVDHBGKYPTUEAA-WAYWQWQTSA-N
Compound name
3-[(Z)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 141.8
[M+Na]+ 215.14063 150.0
[M-H]- 191.14413 145.7
[M+NH4]+ 210.18523 164.3
[M+K]+ 231.11457 147.3
[M+H-H2O]+ 175.14867 137.6
[M+HCOO]- 237.14961 162.9
[M+CH3COO]- 251.16526 186.8
[M+Na-2H]- 213.12608 145.5
[M]+ 192.15086 141.9
[M]- 192.15196 141.9
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