CID 6480938

2-methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=CC(=O)C=C(C1=O)CC=C(C)C
InChI
InChI=1S/C12H14O2/c1-8(2)4-5-10-7-11(13)6-9(3)12(10)14/h4,6-7H,5H2,1-3H3
InChIKey
JYVIPMPFQGQYKW-UHFFFAOYSA-N
Compound name
2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

190.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.9
[M+Na]+ 213.08860 147.6
[M-H]- 189.09210 143.0
[M+NH4]+ 208.13320 159.3
[M+K]+ 229.06254 145.0
[M+H-H2O]+ 173.09664 133.8
[M+HCOO]- 235.09758 161.2
[M+CH3COO]- 249.11323 185.8
[M+Na-2H]- 211.07405 141.6
[M]+ 190.09883 139.8
[M]- 190.09993 139.8
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