CID 3487698

2,2,3,4,6,6-hexamethyl-5-methylene-cyclohex-3-enone

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=C(C(C(=O)C(C1=C)(C)C)(C)C)C
InChI
InChI=1S/C13H20O/c1-8-9(2)12(4,5)11(14)13(6,7)10(8)3/h2H2,1,3-7H3
InChIKey
PXPDEADJZRXKIF-UHFFFAOYSA-N
Compound name
2,2,3,4,6,6-hexamethyl-5-methylidenecyclohex-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 134.3
[M+Na]+ 215.14063 145.2
[M-H]- 191.14413 139.4
[M+NH4]+ 210.18523 159.5
[M+K]+ 231.11457 143.0
[M+H-H2O]+ 175.14867 131.9
[M+HCOO]- 237.14961 155.5
[M+CH3COO]- 251.16526 189.6
[M+Na-2H]- 213.12608 138.5
[M]+ 192.15086 135.7
[M]- 192.15196 135.7
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

No patent data available for this compound.