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]+ 197.10330 143.3
[M+Na]+ 219.08524 151.8
[M+NH4]+ 214.12984 148.3
[M+K]+ 235.05918 150.0
[M-H]- 195.08874 141.4
[M+Na-2H]- 217.07069 146.8
[M]+ 196.09547 143.4
[M]- 196.09657 143.4
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.