CID 657726

1h-1,2,4-triazole, 3-amino-5-(2-methylaminoethyl)-

Structural Information

Molecular Formula
C5H11N5
SMILES
CNCCC1=NC(=NN1)N
InChI
InChI=1S/C5H11N5/c1-7-3-2-4-8-5(6)10-9-4/h7H,2-3H2,1H3,(H3,6,8,9,10)
InChIKey
KNGTVQOTKFUWKU-UHFFFAOYSA-N
Compound name
5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.10144 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.10872 128.6
[M+Na]+ 164.09066 136.5
[M-H]- 140.09416 126.8
[M+NH4]+ 159.13526 146.6
[M+K]+ 180.06460 134.1
[M+H-H2O]+ 124.09870 120.6
[M+HCOO]- 186.09964 151.2
[M+CH3COO]- 200.11529 175.3
[M+Na-2H]- 162.07611 135.1
[M]+ 141.10089 125.3
[M]- 141.10199 125.3
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.