CID 79036

Isopiperitenone

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC(=O)C(CC1)C(=C)C
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3
InChIKey
SEZLYIWMVRUIKT-UHFFFAOYSA-N
Compound name
3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

610
Patents

150.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 130.7
[M+Na]+ 173.09368 137.9
[M-H]- 149.09718 134.4
[M+NH4]+ 168.13828 152.3
[M+K]+ 189.06762 136.1
[M+H-H2O]+ 133.10172 125.9
[M+HCOO]- 195.10266 151.7
[M+CH3COO]- 209.11831 178.4
[M+Na-2H]- 171.07913 134.0
[M]+ 150.10391 128.3
[M]- 150.10501 128.3
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.