CID 82417061

2490418-53-4

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1=NN=C2N1CCC(C2)N
InChI
InChI=1S/C7H12N4/c1-5-9-10-7-4-6(8)2-3-11(5)7/h6H,2-4,8H2,1H3
InChIKey
UOGYOJNDIFVZLJ-UHFFFAOYSA-N
Compound name
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 132.3
[M+Na]+ 175.095418 141.1
[M-H]- 151.098924 132.4
[M+NH4]+ 170.140023 152.1
[M+K]+ 191.069358 138.7
[M+H-H2O]+ 135.103460 124.6
[M+HCOO]- 197.104401 151.8
[M+CH3COO]- 211.120051 145.0
[M+Na-2H]- 173.080866 137.9
[M]+ 152.10565142 128.8
[M]- 152.10674858 128.8
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.