CID 6436691

57934-98-2

Structural Information

Molecular Formula
C14H22O
SMILES
CCC1=C(C(CCC1)(C)C)C(=O)/C=C/C
InChI
InChI=1S/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5,8H,6-7,9-10H2,1-4H3/b8-5+
InChIKey
FKXJNDRRTCDTPL-VMPITWQZSA-N
Compound name
(E)-1-(2-ethyl-6,6-dimethylcyclohexen-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 147.9
[M+Na]+ 229.15629 154.4
[M-H]- 205.15979 151.2
[M+NH4]+ 224.20089 169.4
[M+K]+ 245.13023 151.9
[M+H-H2O]+ 189.16433 143.2
[M+HCOO]- 251.16527 167.6
[M+CH3COO]- 265.18092 189.5
[M+Na-2H]- 227.14174 150.3
[M]+ 206.16652 147.2
[M]- 206.16762 147.2
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