CID 24706404

1909327-23-6

Structural Information

Molecular Formula
C8H10N4
SMILES
CNCC1=NN=C2N1C=CC=C2
InChI
InChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3
InChIKey
UQXCTICEXNDHAR-UHFFFAOYSA-N
Compound name
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

162.09055 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 131.1
[M+Na]+ 185.07977 141.6
[M-H]- 161.08327 132.3
[M+NH4]+ 180.12437 150.7
[M+K]+ 201.05371 138.6
[M+H-H2O]+ 145.08781 123.0
[M+HCOO]- 207.08875 155.3
[M+CH3COO]- 221.10440 145.0
[M+Na-2H]- 183.06522 141.2
[M]+ 162.09000 132.9
[M]- 162.09110 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe