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

46
Patents

154.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 128.3
[M+Na]+ 177.052208 138.0
[M-H]- 153.055714 130.4
[M+NH4]+ 172.096813 148.8
[M+K]+ 193.026148 136.2
[M+H-H2O]+ 137.060250 123.7
[M+HCOO]- 199.061191 150.8
[M+CH3COO]- 213.076841 172.6
[M+Na-2H]- 175.037656 134.0
[M]+ 154.06244142 129.6
[M]- 154.06353858 129.6
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