CID 13486360

4-(2-hydroxyethyl)benzene-1,3-diol

Structural Information

Molecular Formula
C8H10O3
SMILES
C1=CC(=C(C=C1O)O)CCO
InChI
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5,9-11H,3-4H2
InChIKey
YPNXUPUGKABEQS-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

154.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 129.7
[M+Na]+ 177.052208 138.0
[M-H]- 153.055714 130.0
[M+NH4]+ 172.096813 149.2
[M+K]+ 193.026148 135.3
[M+H-H2O]+ 137.060250 125.1
[M+HCOO]- 199.061191 150.8
[M+CH3COO]- 213.076841 168.9
[M+Na-2H]- 175.037656 135.6
[M]+ 154.06244142 128.7
[M]- 154.06353858 128.7
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