CID 65948401

1-(2-aminoethyl)-n-methyl-1h-1,2,3-triazole-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C6H11N5O
SMILES
CNC(=O)C1=CN(N=N1)CCN
InChI
InChI=1S/C6H11N5O/c1-8-6(12)5-4-11(3-2-7)10-9-5/h4H,2-3,7H2,1H3,(H,8,12)
InChIKey
MUIIKIICWQKDEO-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-N-methyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09636 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.103636 135.4
[M+Na]+ 192.085578 143.3
[M-H]- 168.089084 135.1
[M+NH4]+ 187.130183 152.9
[M+K]+ 208.059518 142.0
[M+H-H2O]+ 152.093620 127.0
[M+HCOO]- 214.094561 158.7
[M+CH3COO]- 228.110211 182.2
[M+Na-2H]- 190.071026 140.7
[M]+ 169.09581142 134.4
[M]- 169.09690858 134.4
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.