CID 20266430

2792200-88-3

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 132.0
[M+Na]+ 176.06820 139.4
[M-H]- 152.07170 131.7
[M+NH4]+ 171.11280 150.4
[M+K]+ 192.04214 137.2
[M+H-H2O]+ 136.07624 126.5
[M+HCOO]- 198.07718 151.4
[M+CH3COO]- 212.09283 170.0
[M+Na-2H]- 174.05365 140.4
[M]+ 153.07843 130.6
[M]- 153.07953 130.6
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