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]+ 138.066186 125.9
[M+Na]+ 160.048128 136.9
[M-H]- 136.051634 127.2
[M+NH4]+ 155.092733 148.5
[M+K]+ 176.022068 135.6
[M+H-H2O]+ 120.056170 119.1
[M+HCOO]- 182.057111 147.9
[M+CH3COO]- 196.072761 140.4
[M+Na-2H]- 158.033576 130.8
[M]+ 137.05836142 126.7
[M]- 137.05945858 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.