CID 25219500

[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methanol hydrochloride

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC(=CN=C1)C2=NOC(=N2)CO
InChI
InChI=1S/C8H7N3O2/c12-5-7-10-8(11-13-7)6-2-1-3-9-4-6/h1-4,12H,5H2
InChIKey
TXGJQRAXYKPEMF-UHFFFAOYSA-N
Compound name
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 133.6
[M+Na]+ 200.043048 143.4
[M-H]- 176.046554 136.2
[M+NH4]+ 195.087653 149.3
[M+K]+ 216.016988 141.7
[M+H-H2O]+ 160.051090 125.3
[M+HCOO]- 222.052031 154.8
[M+CH3COO]- 236.067681 147.0
[M+Na-2H]- 198.028496 141.6
[M]+ 177.05328142 134.8
[M]- 177.05437858 134.8
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

No patent data available for this compound.