CID 193390

Trimethylphloroglucinol

Structural Information

Molecular Formula
C9H12O3
SMILES
CC1=C(C(=C(C(=C1O)C)O)C)O
InChI
InChI=1S/C9H12O3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h10-12H,1-3H3
InChIKey
MNBSXKSWDLYJHN-UHFFFAOYSA-N
Compound name
2,4,6-trimethylbenzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

415
Patents

168.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 132.5
[M+Na]+ 191.067858 143.2
[M-H]- 167.071364 133.8
[M+NH4]+ 186.112463 152.4
[M+K]+ 207.041798 140.4
[M+H-H2O]+ 151.075900 128.5
[M+HCOO]- 213.076841 153.2
[M+CH3COO]- 227.092491 175.8
[M+Na-2H]- 189.053306 135.8
[M]+ 168.07809142 133.1
[M]- 168.07918858 133.1
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.