CID 258540

1-(pyridin-2-yl)ethane-1,2-diol hydrochloride

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1=CC=NC(=C1)C(CO)O
InChI
InChI=1S/C7H9NO2/c9-5-7(10)6-3-1-2-4-8-6/h1-4,7,9-10H,5H2
InChIKey
ORRCHBGKENHRKA-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

139.06332 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 127.1
[M+Na]+ 162.05254 134.2
[M-H]- 138.05604 126.8
[M+NH4]+ 157.09714 145.9
[M+K]+ 178.02648 132.4
[M+H-H2O]+ 122.06058 121.2
[M+HCOO]- 184.06152 147.5
[M+CH3COO]- 198.07717 167.5
[M+Na-2H]- 160.03799 134.2
[M]+ 139.06277 125.3
[M]- 139.06387 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe