CID 83764773

2241145-55-9

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=NNC(=N1)/C=C/C(=O)O
InChI
InChI=1S/C5H5N3O2/c9-5(10)2-1-4-6-3-7-8-4/h1-3H,(H,9,10)(H,6,7,8)/b2-1+
InChIKey
RTHKKPZTBOIQJE-OWOJBTEDSA-N
Compound name
(E)-3-(1H-1,2,4-triazol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.03818 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.04546 128.0
[M+Na]+ 162.02740 137.6
[M+NH4]+ 157.07200 133.3
[M+K]+ 178.00134 135.8
[M-H]- 138.03090 125.1
[M+Na-2H]- 160.01285 131.6
[M]+ 139.03763 127.9
[M]- 139.03873 127.9
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.