CID 12634575

1-acetyl-4-isopropenylcyclopentene

Structural Information

Molecular Formula
C10H14O
SMILES
CC(=C)C1CC=C(C1)C(=O)C
InChI
InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3
InChIKey
BTXSVMBTNJSALB-UHFFFAOYSA-N
Compound name
1-(4-prop-1-en-2-ylcyclopenten-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

150.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 133.6
[M+Na]+ 173.093678 140.5
[M-H]- 149.097184 137.1
[M+NH4]+ 168.138283 156.6
[M+K]+ 189.067618 139.0
[M+H-H2O]+ 133.101720 128.8
[M+HCOO]- 195.102661 155.7
[M+CH3COO]- 209.118311 177.9
[M+Na-2H]- 171.079126 134.9
[M]+ 150.10391142 132.2
[M]- 150.10500858 132.2
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