CID 642521

2-ethylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
CCC1=CCCCC1=O
InChI
InChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h5H,2-4,6H2,1H3
InChIKey
AHAATKOSNXIXCX-UHFFFAOYSA-N
Compound name
2-ethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

124.08881 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe