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

71
Patents

124.08881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 123.9
[M+Na]+ 147.07803 131.0
[M-H]- 123.08153 127.5
[M+NH4]+ 142.12263 146.4
[M+K]+ 163.05197 129.9
[M+H-H2O]+ 107.08607 119.0
[M+HCOO]- 169.08701 146.4
[M+CH3COO]- 183.10266 171.3
[M+Na-2H]- 145.06348 130.2
[M]+ 124.08826 121.8
[M]- 124.08936 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