CID 238965

3-ethylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
CCC1=CC(=O)CCC1
InChI
InChI=1S/C8H12O/c1-2-7-4-3-5-8(9)6-7/h6H,2-5H2,1H3
InChIKey
UORVPNKUEOFRLW-UHFFFAOYSA-N
Compound name
3-ethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

124.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 125.1
[M+Na]+ 147.07803 137.5
[M+NH4]+ 142.12263 134.7
[M+K]+ 163.05197 130.7
[M-H]- 123.08153 127.7
[M+Na-2H]- 145.06348 131.7
[M]+ 124.08826 127.6
[M]- 124.08936 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe