CID 11458409

4-(2,2,3-trimethyl-6-methylenecyclohexyl)but-3-en-2-one

Structural Information

Molecular Formula
C14H22O
SMILES
CC1CCC(=C)C(C1(C)C)/C=C/C(=O)C
InChI
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+
InChIKey
MVPDTCQYNRKWJA-CMDGGOBGSA-N
Compound name
(E)-4-(2,2,3-trimethyl-6-methylidenecyclohexyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

435
Patents

206.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 151.1
[M+Na]+ 229.15629 162.0
[M+NH4]+ 224.20089 160.4
[M+K]+ 245.13023 153.3
[M-H]- 205.15979 152.6
[M+Na-2H]- 227.14174 155.8
[M]+ 206.16652 153.1
[M]- 206.16762 153.1
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

patents stripe