CID 3787218

2-methoxy-3-methylbenzene-1,4-diol

Structural Information

Molecular Formula
C8H10O3
SMILES
CC1=C(C=CC(=C1OC)O)O
InChI
InChI=1S/C8H10O3/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4,9-10H,1-2H3
InChIKey
WLZCXHMBJHCRFH-UHFFFAOYSA-N
Compound name
2-methoxy-3-methylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

154.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.0
[M+Na]+ 177.05221 141.8
[M+NH4]+ 172.09681 137.0
[M+K]+ 193.02615 136.8
[M-H]- 153.05571 130.1
[M+Na-2H]- 175.03766 134.9
[M]+ 154.06244 131.0
[M]- 154.06354 131.0
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

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