CID 135741967

6-tert-butyl-1h,2h,3h-pyrazolo[1,5-a]imidazol-2-one

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC(C)(C)C1=NN2CC(=O)NC2=C1
InChI
InChI=1S/C9H13N3O/c1-9(2,3)6-4-7-10-8(13)5-12(7)11-6/h4H,5H2,1-3H3,(H,10,13)
InChIKey
UFMRZZGKHQAVOV-UHFFFAOYSA-N
Compound name
6-tert-butyl-1,3-dihydroimidazo[1,2-b]pyrazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 142.3
[M+Na]+ 202.09509 152.1
[M-H]- 178.09859 142.2
[M+NH4]+ 197.13969 162.8
[M+K]+ 218.06903 149.6
[M+H-H2O]+ 162.10313 136.2
[M+HCOO]- 224.10407 160.2
[M+CH3COO]- 238.11972 178.2
[M+Na-2H]- 200.08054 146.0
[M]+ 179.10532 141.7
[M]- 179.10642 141.7
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.