CID 11183027

2,3-dimethoxy-5-methylhydroquinone

Structural Information

Molecular Formula
C9H12O4
SMILES
CC1=CC(=C(C(=C1O)OC)OC)O
InChI
InChI=1S/C9H12O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4,10-11H,1-3H3
InChIKey
DSBZYDDWLLIJJS-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5-methylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

244
Patents

184.07356 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 135.2
[M+Na]+ 207.062778 145.2
[M-H]- 183.066284 137.4
[M+NH4]+ 202.107383 154.7
[M+K]+ 223.036718 143.9
[M+H-H2O]+ 167.070820 130.4
[M+HCOO]- 229.071761 157.6
[M+CH3COO]- 243.087411 179.1
[M+Na-2H]- 205.048226 139.8
[M]+ 184.07301142 138.8
[M]- 184.07410858 138.8
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