CID 12785

Trimethylhydroquinone

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC(=C(C(=C1O)C)C)O
InChI
InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
InChIKey
AUFZRCJENRSRLY-UHFFFAOYSA-N
Compound name
2,3,5-trimethylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

8104
Patents

152.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 129.0
[M+Na]+ 175.07294 139.3
[M-H]- 151.07644 131.4
[M+NH4]+ 170.11754 150.1
[M+K]+ 191.04688 136.8
[M+H-H2O]+ 135.08098 124.8
[M+HCOO]- 197.08192 151.0
[M+CH3COO]- 211.09757 174.8
[M+Na-2H]- 173.05839 133.6
[M]+ 152.08317 129.7
[M]- 152.08427 129.7
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.