CID 3020714

10515-92-1

Structural Information

Molecular Formula
C8H10O
SMILES
C1CC2=C(C1)C(=O)CC2
InChI
InChI=1S/C8H10O/c9-8-5-4-6-2-1-3-7(6)8/h1-5H2
InChIKey
RCMSABHBOBOMFR-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrahydro-2H-pentalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

122.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 124.8
[M+Na]+ 145.062384 133.0
[M-H]- 121.065890 129.4
[M+NH4]+ 140.106989 151.7
[M+K]+ 161.036324 131.4
[M+H-H2O]+ 105.070426 120.6
[M+HCOO]- 167.071367 148.5
[M+CH3COO]- 181.087017 169.3
[M+Na-2H]- 143.047832 129.1
[M]+ 122.07261742 122.8
[M]- 122.07371458 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.