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

64
Patents

139.06332 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 127.1
[M+Na]+ 162.052538 134.2
[M-H]- 138.056044 126.8
[M+NH4]+ 157.097143 145.9
[M+K]+ 178.026478 132.4
[M+H-H2O]+ 122.060580 121.2
[M+HCOO]- 184.061521 147.5
[M+CH3COO]- 198.077171 167.5
[M+Na-2H]- 160.037986 134.2
[M]+ 139.06277142 125.3
[M]- 139.06386858 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