CID 499471

Nsc679751

Structural Information

Molecular Formula
C9H10O4
SMILES
CC1=C(C(=C(C2=C1OCO2)C)O)O
InChI
InChI=1S/C9H10O4/c1-4-6(10)7(11)5(2)9-8(4)12-3-13-9/h10-11H,3H2,1-2H3
InChIKey
VYAUGOKFIUDXEA-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1,3-benzodioxole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 134.2
[M+Na]+ 205.04712 144.8
[M-H]- 181.05062 138.7
[M+NH4]+ 200.09172 154.0
[M+K]+ 221.02106 144.6
[M+H-H2O]+ 165.05516 130.5
[M+HCOO]- 227.05610 153.9
[M+CH3COO]- 241.07175 177.2
[M+Na-2H]- 203.03257 140.5
[M]+ 182.05735 137.3
[M]- 182.05845 137.3
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.