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 143.1
[M+Na]+ 219.08524 150.0
[M-H]- 195.08874 142.6
[M+NH4]+ 214.12984 159.6
[M+K]+ 235.05918 149.1
[M+H-H2O]+ 179.09328 134.5
[M+HCOO]- 241.09422 164.7
[M+CH3COO]- 255.10987 184.1
[M+Na-2H]- 217.07069 147.4
[M]+ 196.09547 144.1
[M]- 196.09657 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.