CID 117148996

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC2=NN=CN2CC1O
InChI
InChI=1S/C6H9N3O/c10-5-1-2-6-8-7-4-9(6)3-5/h4-5,10H,1-3H2
InChIKey
KBTIERQWTJHYKK-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.3
[M+Na]+ 162.063768 135.8
[M-H]- 138.067274 126.3
[M+NH4]+ 157.108373 147.0
[M+K]+ 178.037708 133.8
[M+H-H2O]+ 122.071810 119.9
[M+HCOO]- 184.072751 145.4
[M+CH3COO]- 198.088401 140.0
[M+Na-2H]- 160.049216 134.2
[M]+ 139.07400142 124.3
[M]- 139.07509858 124.3
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.