CID 83674606

2-{5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-ol

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CCN2C(=NN=C2CCO)C1
InChI
InChI=1S/C8H13N3O/c12-6-4-8-10-9-7-3-1-2-5-11(7)8/h12H,1-6H2
InChIKey
YOCZIQYIDLPSNP-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 136.3
[M+Na]+ 190.095088 144.0
[M-H]- 166.098594 135.0
[M+NH4]+ 185.139693 154.9
[M+K]+ 206.069028 141.5
[M+H-H2O]+ 150.103130 128.5
[M+HCOO]- 212.104071 153.7
[M+CH3COO]- 226.119721 148.2
[M+Na-2H]- 188.080536 142.2
[M]+ 167.10532142 134.0
[M]- 167.10641858 134.0
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.