CID 363769

Nsc628976

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1=CC(=O)C(=CC(=C1)C(C)C)O
InChI
InChI=1S/C11H14O2/c1-7(2)9-4-8(3)5-10(12)11(13)6-9/h4-7H,1-3H3,(H,12,13)
InChIKey
FFKAAUJVOQNWFJ-UHFFFAOYSA-N
Compound name
2-hydroxy-6-methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 130.7
[M+Na]+ 201.08860 137.6
[M-H]- 177.09210 135.1
[M+NH4]+ 196.13320 149.7
[M+K]+ 217.06254 140.7
[M+H-H2O]+ 161.09664 127.0
[M+HCOO]- 223.09758 152.1
[M+CH3COO]- 237.11323 183.9
[M+Na-2H]- 199.07405 134.4
[M]+ 178.09883 129.1
[M]- 178.09993 129.1
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.