CID 20266430

2-(pyridin-4-yl)propane-1,2-diolhydrochloride

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(CO)(C1=CC=NC=C1)O
InChI
InChI=1S/C8H11NO2/c1-8(11,6-10)7-2-4-9-5-3-7/h2-5,10-11H,6H2,1H3
InChIKey
BPNFTOHKJKYSQX-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.6
[M+Na]+ 176.06820 143.2
[M+NH4]+ 171.11280 139.1
[M+K]+ 192.04214 138.5
[M-H]- 152.07170 131.5
[M+Na-2H]- 174.05365 138.0
[M]+ 153.07843 133.1
[M]- 153.07953 133.1
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