CID 136330

Eucarvone

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC=CC(CC1=O)(C)C
InChI
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3
InChIKey
QNGQIURXCUHNAT-UHFFFAOYSA-N
Compound name
2,6,6-trimethylcyclohepta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

485
Patents

150.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 124.3
[M+Na]+ 173.09368 131.2
[M-H]- 149.09718 129.6
[M+NH4]+ 168.13828 146.5
[M+K]+ 189.06762 133.7
[M+H-H2O]+ 133.10172 120.9
[M+HCOO]- 195.10266 146.7
[M+CH3COO]- 209.11831 179.7
[M+Na-2H]- 171.07913 130.8
[M]+ 150.10391 121.7
[M]- 150.10501 121.7
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