CID 53693304

4-(propan-2-ylidene)cyclohex-2-en-1-one

Structural Information

Molecular Formula
C9H12O
SMILES
CC(=C1CCC(=O)C=C1)C
InChI
InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3,5H,4,6H2,1-2H3
InChIKey
BOSSBIJUZWPVGS-UHFFFAOYSA-N
Compound name
4-propan-2-ylidenecyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

136.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 127.4
[M+Na]+ 159.078038 134.1
[M-H]- 135.081544 130.9
[M+NH4]+ 154.122643 149.3
[M+K]+ 175.051978 132.6
[M+H-H2O]+ 119.086080 122.5
[M+HCOO]- 181.087021 148.7
[M+CH3COO]- 195.102671 173.6
[M+Na-2H]- 157.063486 131.9
[M]+ 136.08827142 124.1
[M]- 136.08936858 124.1
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