CID 6480939

2-hydroxy-3-methyl-5-(3-methylbut-2-enyl)-1,4-benzoquinone

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1=C(C(=CC(=O)C1=O)CC=C(C)C)O
InChI
InChI=1S/C12H14O3/c1-7(2)4-5-9-6-10(13)12(15)8(3)11(9)14/h4,6,14H,5H2,1-3H3
InChIKey
RRERNWMYNIHWAK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methyl-5-(3-methylbut-2-enyl)cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 142.1
[M+Na]+ 229.08352 151.1
[M-H]- 205.08702 145.1
[M+NH4]+ 224.12812 161.3
[M+K]+ 245.05746 148.2
[M+H-H2O]+ 189.09156 137.2
[M+HCOO]- 251.09250 163.0
[M+CH3COO]- 265.10815 186.6
[M+Na-2H]- 227.06897 143.5
[M]+ 206.09375 142.9
[M]- 206.09485 142.9
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

No patent data available for this compound.