CID 6374059

392727-55-8

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CCOC(=O)/C=C(\C)/NN1C=NN=C1
InChI
InChI=1S/C8H12N4O2/c1-3-14-8(13)4-7(2)11-12-5-9-10-6-12/h4-6,11H,3H2,1-2H3/b7-4+
InChIKey
XVZRDSUYUFVMCG-QPJJXVBHSA-N
Compound name
ethyl (E)-3-(1,2,4-triazol-4-ylamino)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 143.1
[M+Na]+ 219.085238 150.0
[M-H]- 195.088744 142.6
[M+NH4]+ 214.129843 159.6
[M+K]+ 235.059178 149.1
[M+H-H2O]+ 179.093280 134.5
[M+HCOO]- 241.094221 164.7
[M+CH3COO]- 255.109871 184.1
[M+Na-2H]- 217.070686 147.4
[M]+ 196.09547142 144.1
[M]- 196.09656858 144.1
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.