CID 97617261

1707672-79-4

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]+ 124.050536 121.3
[M+Na]+ 146.032478 131.8
[M-H]- 122.035984 122.3
[M+NH4]+ 141.077083 144.1
[M+K]+ 162.006418 130.8
[M+H-H2O]+ 106.040520 114.3
[M+HCOO]- 168.041461 143.6
[M+CH3COO]- 182.057111 135.9
[M+Na-2H]- 144.017926 127.4
[M]+ 123.04271142 121.3
[M]- 123.04380858 121.3
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.