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

13
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 125.5
[M+Na]+ 147.07803 133.1
[M-H]- 123.08153 129.3
[M+NH4]+ 142.12263 151.4
[M+K]+ 163.05197 132.5
[M+H-H2O]+ 107.08607 121.5
[M+HCOO]- 169.08701 149.1
[M+CH3COO]- 183.10266 170.4
[M+Na-2H]- 145.06348 130.9
[M]+ 124.08826 124.6
[M]- 124.08936 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