CID 97617261

5h-pyrrolo[2,1-c][1,2,4]triazol-7(6h)-one

Structural Information

Molecular Formula
C5H5N3O
SMILES
C1CN2C=NN=C2C1=O
InChI
InChI=1S/C5H5N3O/c9-4-1-2-8-3-6-7-5(4)8/h3H,1-2H2
InChIKey
FYUVEPVDBKFMDB-UHFFFAOYSA-N
Compound name
5,6-dihydropyrrolo[2,1-c][1,2,4]triazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.04326 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 122.3
[M+Na]+ 146.03248 133.3
[M+NH4]+ 141.07708 130.4
[M+K]+ 162.00642 131.9
[M-H]- 122.03598 121.7
[M+Na-2H]- 144.01793 126.8
[M]+ 123.04271 123.4
[M]- 123.04381 123.4
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.