CID 67362423

2-ethoxybenzene-1,3-diol

Structural Information

Molecular Formula
C8H10O3
SMILES
CCOC1=C(C=CC=C1O)O
InChI
InChI=1S/C8H10O3/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5,9-10H,2H2,1H3
InChIKey
LCSYBHAMRRYYLC-UHFFFAOYSA-N
Compound name
2-ethoxybenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
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 128.9
[M+Na]+ 177.05221 137.7
[M-H]- 153.05571 130.6
[M+NH4]+ 172.09681 149.1
[M+K]+ 193.02615 135.8
[M+H-H2O]+ 137.06025 124.0
[M+HCOO]- 199.06119 151.5
[M+CH3COO]- 213.07684 171.4
[M+Na-2H]- 175.03766 135.3
[M]+ 154.06244 129.8
[M]- 154.06354 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