CID 119928

1,3-benzenediol, 5-ethoxy-

Structural Information

Molecular Formula
C8H10O3
SMILES
CCOC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C8H10O3/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,9-10H,2H2,1H3
InChIKey
NCKTXJDJNMSYDR-UHFFFAOYSA-N
Compound name
5-ethoxybenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
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 128.9
[M+Na]+ 177.052208 137.7
[M-H]- 153.055714 130.6
[M+NH4]+ 172.096813 149.1
[M+K]+ 193.026148 135.8
[M+H-H2O]+ 137.060250 124.0
[M+HCOO]- 199.061191 151.5
[M+CH3COO]- 213.076841 171.4
[M+Na-2H]- 175.037656 135.3
[M]+ 154.06244142 129.8
[M]- 154.06353858 129.8
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