CID 10845133

7-methyl-1,3-dihydro-2-benzofuran-4,5,6-triol

Structural Information

Molecular Formula
C9H10O4
SMILES
CC1=C2COCC2=C(C(=C1O)O)O
InChI
InChI=1S/C9H10O4/c1-4-5-2-13-3-6(5)8(11)9(12)7(4)10/h10-12H,2-3H2,1H3
InChIKey
VPYMCXHMAIDUNK-UHFFFAOYSA-N
Compound name
7-methyl-1,3-dihydro-2-benzofuran-4,5,6-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

182.0579 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 134.2
[M+Na]+ 205.04712 144.2
[M-H]- 181.05062 136.6
[M+NH4]+ 200.09172 154.5
[M+K]+ 221.02106 142.3
[M+H-H2O]+ 165.05516 130.5
[M+HCOO]- 227.05610 153.3
[M+CH3COO]- 241.07175 174.6
[M+Na-2H]- 203.03257 139.2
[M]+ 182.05735 134.8
[M]- 182.05845 134.8
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