CID 121552362

5-methyl-5h,6h,7h-pyrrolo[1,2-b][1,2,4]triazol-7-one

Structural Information

Molecular Formula
C6H7N3O
SMILES
CC1CC(=O)C2=NC=NN12
InChI
InChI=1S/C6H7N3O/c1-4-2-5(10)6-7-3-8-9(4)6/h3-4H,2H2,1H3
InChIKey
WEQAMWJVGYKLNA-UHFFFAOYSA-N
Compound name
5-methyl-5,6-dihydropyrrolo[1,2-b][1,2,4]triazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.9
[M+Na]+ 160.04813 136.9
[M-H]- 136.05163 127.2
[M+NH4]+ 155.09273 148.5
[M+K]+ 176.02207 135.6
[M+H-H2O]+ 120.05617 119.1
[M+HCOO]- 182.05711 147.9
[M+CH3COO]- 196.07276 140.4
[M+Na-2H]- 158.03358 130.8
[M]+ 137.05836 126.7
[M]- 137.05946 126.7
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.