CID 557087

1-(1-methylcyclopent-2-en-1-yl)ethan-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
CC(=O)C1(CCC=C1)C
InChI
InChI=1S/C8H12O/c1-7(9)8(2)5-3-4-6-8/h3,5H,4,6H2,1-2H3
InChIKey
DIZVAYGKXSYCSO-UHFFFAOYSA-N
Compound name
1-(1-methylcyclopent-2-en-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 125.5
[M+Na]+ 147.078028 133.1
[M-H]- 123.081534 129.3
[M+NH4]+ 142.122633 151.4
[M+K]+ 163.051968 132.5
[M+H-H2O]+ 107.086070 121.5
[M+HCOO]- 169.087011 149.1
[M+CH3COO]- 183.102661 170.4
[M+Na-2H]- 145.063476 130.9
[M]+ 124.08826142 124.6
[M]- 124.08935858 124.6
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