CID 21604560

5-ethylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
CCC1CC=CC(=O)C1
InChI
InChI=1S/C8H12O/c1-2-7-4-3-5-8(9)6-7/h3,5,7H,2,4,6H2,1H3
InChIKey
HWCPLQBNGGMIMP-UHFFFAOYSA-N
Compound name
5-ethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

124.08881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 123.9
[M+Na]+ 147.078028 131.0
[M-H]- 123.081534 127.5
[M+NH4]+ 142.122633 146.4
[M+K]+ 163.051968 129.9
[M+H-H2O]+ 107.086070 119.0
[M+HCOO]- 169.087011 146.4
[M+CH3COO]- 183.102661 171.3
[M+Na-2H]- 145.063476 130.2
[M]+ 124.08826142 121.8
[M]- 124.08935858 121.8
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