CID 133433

80284-15-7

Structural Information

Molecular Formula
C11H16O3
SMILES
CC(C)(C)C1=C(C(=CC(=C1)OC)O)O
InChI
InChI=1S/C11H16O3/c1-11(2,3)8-5-7(14-4)6-9(12)10(8)13/h5-6,12-13H,1-4H3
InChIKey
CDUDTAOIPVCWDW-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-methoxybenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

196.10994 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 142.3
[M+Na]+ 219.09916 151.2
[M-H]- 195.10266 144.2
[M+NH4]+ 214.14376 161.4
[M+K]+ 235.07310 149.3
[M+H-H2O]+ 179.10720 137.9
[M+HCOO]- 241.10814 162.3
[M+CH3COO]- 255.12379 181.5
[M+Na-2H]- 217.08461 147.3
[M]+ 196.10939 144.2
[M]- 196.11049 144.2
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