CID 19211

2-tert-butyl-1,4-benzoquinone

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(C)(C)C1=CC(=O)C=CC1=O
InChI
InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChIKey
NCCTVAJNFXYWTM-UHFFFAOYSA-N
Compound name
2-tert-butylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

2067
Patents

164.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.8
[M+Na]+ 187.07294 140.8
[M-H]- 163.07644 136.1
[M+NH4]+ 182.11754 153.2
[M+K]+ 203.04688 139.3
[M+H-H2O]+ 147.08098 127.3
[M+HCOO]- 209.08192 154.0
[M+CH3COO]- 223.09757 178.9
[M+Na-2H]- 185.05839 138.1
[M]+ 164.08317 132.5
[M]- 164.08427 132.5
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.