CID 6366319

Einecs 300-603-1

Structural Information

Molecular Formula
C14H22O
SMILES
C/C=C/C(=O)C1=C(CCC(C1)C(C)C)C
InChI
InChI=1S/C14H22O/c1-5-6-14(15)13-9-12(10(2)3)8-7-11(13)4/h5-6,10,12H,7-9H2,1-4H3/b6-5+
InChIKey
PIRRESNWUUEAOS-AATRIKPKSA-N
Compound name
(E)-1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 151.0
[M+Na]+ 229.15629 161.9
[M+NH4]+ 224.20089 159.0
[M+K]+ 245.13023 155.3
[M-H]- 205.15979 152.6
[M+Na-2H]- 227.14174 154.9
[M]+ 206.16652 152.9
[M]- 206.16762 152.9
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

No patent data available for this compound.