CID 155465

4-hydroxy-4-methylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1(CCC(=O)C=C1)O
InChI
InChI=1S/C7H10O2/c1-7(9)4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3
InChIKey
YYSUJSRMFRKVGC-UHFFFAOYSA-N
Compound name
4-hydroxy-4-methylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

18
Patents

126.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.5
[M+Na]+ 149.05730 136.2
[M+NH4]+ 144.10190 134.7
[M+K]+ 165.03124 128.7
[M-H]- 125.06080 125.9
[M+Na-2H]- 147.04275 131.8
[M]+ 126.06753 126.6
[M]- 126.06863 126.6
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