CID 139594749

Ns00009761

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1=CC(=C(C(=C1C)O)O)C(C)(C)C
InChI
InChI=1S/C12H18O2/c1-7-6-9(12(3,4)5)11(14)10(13)8(7)2/h6,13-14H,1-5H3
InChIKey
DMODBRJNWBHQGL-UHFFFAOYSA-N
Compound name
6-tert-butyl-3,4-dimethylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 142.7
[M+Na]+ 217.119898 152.2
[M-H]- 193.123404 144.9
[M+NH4]+ 212.164503 162.3
[M+K]+ 233.093838 149.5
[M+H-H2O]+ 177.127940 138.7
[M+HCOO]- 239.128881 162.2
[M+CH3COO]- 253.144531 183.7
[M+Na-2H]- 215.105346 146.5
[M]+ 194.13013142 143.9
[M]- 194.13122858 143.9
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.