CID 66963260

Schembl1244477

Structural Information

Molecular Formula
C10H14O2
SMILES
CC1=CCC(C(C1=O)O)C(=C)C
InChI
InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4,8,10,12H,1,5H2,2-3H3
InChIKey
YNTOEUGPNLOIEP-UHFFFAOYSA-N
Compound name
6-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

166.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 134.0
[M+Na]+ 189.08860 141.7
[M-H]- 165.09210 136.6
[M+NH4]+ 184.13320 154.5
[M+K]+ 205.06254 139.5
[M+H-H2O]+ 149.09664 129.5
[M+HCOO]- 211.09758 153.7
[M+CH3COO]- 225.11323 179.1
[M+Na-2H]- 187.07405 136.1
[M]+ 166.09883 131.6
[M]- 166.09993 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.