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]+ 168.11315 136.3
[M+Na]+ 190.09509 144.0
[M-H]- 166.09859 135.0
[M+NH4]+ 185.13969 154.9
[M+K]+ 206.06903 141.5
[M+H-H2O]+ 150.10313 128.5
[M+HCOO]- 212.10407 153.7
[M+CH3COO]- 226.11972 148.2
[M+Na-2H]- 188.08054 142.2
[M]+ 167.10532 134.0
[M]- 167.10642 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.