CID 574183

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

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(CC(C(=O)C(=C1)O)(C)C)C
InChI
InChI=1S/C10H16O2/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,11H,6H2,1-4H3
InChIKey
ZDVYJSLTFYQPID-UHFFFAOYSA-N
Compound name
2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 131.9
[M+Na]+ 191.104258 141.4
[M-H]- 167.107764 135.3
[M+NH4]+ 186.148863 156.6
[M+K]+ 207.078198 140.0
[M+H-H2O]+ 151.112300 129.2
[M+HCOO]- 213.113241 152.5
[M+CH3COO]- 227.128891 178.4
[M+Na-2H]- 189.089706 138.0
[M]+ 168.11449142 131.7
[M]- 168.11558858 131.7
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