CID 146155007

2416229-74-6

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CCOC(=O)C1=NC(=NN1C)CN
InChI
InChI=1S/C7H12N4O2/c1-3-13-7(12)6-9-5(4-8)10-11(6)2/h3-4,8H2,1-2H3
InChIKey
WMJZTKANNHRINJ-UHFFFAOYSA-N
Compound name
ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 139.3
[M+Na]+ 207.085238 148.4
[M-H]- 183.088744 139.1
[M+NH4]+ 202.129843 156.8
[M+K]+ 223.059178 147.4
[M+H-H2O]+ 167.093280 131.4
[M+HCOO]- 229.094221 161.3
[M+CH3COO]- 243.109871 183.5
[M+Na-2H]- 205.070686 142.8
[M]+ 184.09547142 141.1
[M]- 184.09656858 141.1
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.