CID 25244596

Dihydrofumigatin

Structural Information

Molecular Formula
C8H10O4
SMILES
CC1=CC(=C(C(=C1O)O)OC)O
InChI
InChI=1S/C8H10O4/c1-4-3-5(9)8(12-2)7(11)6(4)10/h3,9-11H,1-2H3
InChIKey
FBRSHCVRTNPNES-UHFFFAOYSA-N
Compound name
3-methoxy-6-methylbenzene-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 131.5
[M+Na]+ 193.04712 141.6
[M-H]- 169.05062 132.5
[M+NH4]+ 188.09172 150.9
[M+K]+ 209.02106 139.5
[M+H-H2O]+ 153.05516 127.1
[M+HCOO]- 215.05610 152.7
[M+CH3COO]- 229.07175 173.7
[M+Na-2H]- 191.03257 136.0
[M]+ 170.05735 132.8
[M]- 170.05845 132.8
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

No patent data available for this compound.