CID 89193

4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1=CC(CC(C1=O)(C)C)O
InChI
InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3
InChIKey
CZWSBAFIAZKCRV-UHFFFAOYSA-N
Compound name
4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

154.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 129.6
[M+Na]+ 177.088598 138.6
[M-H]- 153.092104 132.7
[M+NH4]+ 172.133203 152.8
[M+K]+ 193.062538 137.1
[M+H-H2O]+ 137.096640 126.1
[M+HCOO]- 199.097581 150.5
[M+CH3COO]- 213.113231 175.6
[M+Na-2H]- 175.074046 134.8
[M]+ 154.09883142 128.5
[M]- 154.09992858 128.5
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