CID 7439

Carvone

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CCC(CC1=O)C(=C)C
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
InChIKey
ULDHMXUKGWMISQ-UHFFFAOYSA-N
Compound name
2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

635
References

55878
Patents

150.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.7
[M+Na]+ 173.093678 137.9
[M-H]- 149.097184 134.4
[M+NH4]+ 168.138283 152.3
[M+K]+ 189.067618 136.1
[M+H-H2O]+ 133.101720 125.9
[M+HCOO]- 195.102661 151.7
[M+CH3COO]- 209.118311 178.4
[M+Na-2H]- 171.079126 134.0
[M]+ 150.10391142 128.3
[M]- 150.10500858 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

literature stripe

Patent stripe

patents stripe