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]+ 170.10364 135.4
[M+Na]+ 192.08558 143.3
[M-H]- 168.08908 135.1
[M+NH4]+ 187.13018 152.9
[M+K]+ 208.05952 142.0
[M+H-H2O]+ 152.09362 127.0
[M+HCOO]- 214.09456 158.7
[M+CH3COO]- 228.11021 182.2
[M+Na-2H]- 190.07103 140.7
[M]+ 169.09581 134.4
[M]- 169.09691 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.