CID 11040694

10095-78-0

Structural Information

Molecular Formula
C8H10O
SMILES
C1CC(=O)[C@@H]2[C@H]1CC=C2
InChI
InChI=1S/C8H10O/c9-8-5-4-6-2-1-3-7(6)8/h1,3,6-7H,2,4-5H2/t6-,7-/m0/s1
InChIKey
HMMDXMOYKXSSQU-BQBZGAKWSA-N
Compound name
(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-pentalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 124.8
[M+Na]+ 145.06238 133.0
[M-H]- 121.06589 129.4
[M+NH4]+ 140.10699 151.7
[M+K]+ 161.03632 131.4
[M+H-H2O]+ 105.07043 120.6
[M+HCOO]- 167.07137 148.5
[M+CH3COO]- 181.08702 169.3
[M+Na-2H]- 143.04783 129.1
[M]+ 122.07262 122.8
[M]- 122.07371 122.8
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

No patent data available for this compound.