CID 96855843

(2s)-2-{5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-3-yl}pyrrolidine dihydrochloride

Structural Information

Molecular Formula
C10H16N4
SMILES
C1CCN2C(=NN=C2[C@@H]3CCCN3)C1
InChI
InChI=1S/C10H16N4/c1-2-7-14-9(5-1)12-13-10(14)8-4-3-6-11-8/h8,11H,1-7H2/t8-/m0/s1
InChIKey
SRNJTVMJFGYBPH-QMMMGPOBSA-N
Compound name
3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 144.8
[M+Na]+ 215.12672 150.7
[M-H]- 191.13022 144.9
[M+NH4]+ 210.17132 162.1
[M+K]+ 231.10066 147.4
[M+H-H2O]+ 175.13476 135.2
[M+HCOO]- 237.13570 159.3
[M+CH3COO]- 251.15135 155.1
[M+Na-2H]- 213.11217 146.4
[M]+ 192.13695 137.8
[M]- 192.13805 137.8
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.