CID 75550

2,6-di-tert-butylhydroquinone

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O
InChI
InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey
JFGVTUJBHHZRAB-UHFFFAOYSA-N
Compound name
2,6-ditert-butylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

11486
Patents

222.16199 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 153.7
[M+Na]+ 245.15121 165.2
[M+NH4]+ 240.19581 160.8
[M+K]+ 261.12515 160.6
[M-H]- 221.15471 153.8
[M+Na-2H]- 243.13666 158.3
[M]+ 222.16144 155.5
[M]- 222.16254 155.5
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