CID 130660220

1-{1h,2h,3h-pyrazolo[1,5-a]imidazol-1-yl}but-2-yn-1-one

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC#CC(=O)N1CCN2C1=CC=N2
InChI
InChI=1S/C9H9N3O/c1-2-3-9(13)11-6-7-12-8(11)4-5-10-12/h4-5H,6-7H2,1H3
InChIKey
MQTPFDBJNPHGRN-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)but-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 137.0
[M+Na]+ 198.063768 147.7
[M-H]- 174.067274 135.3
[M+NH4]+ 193.108373 154.9
[M+K]+ 214.037708 143.4
[M+H-H2O]+ 158.071810 122.5
[M+HCOO]- 220.072751 151.1
[M+CH3COO]- 234.088401 147.8
[M+Na-2H]- 196.049216 138.9
[M]+ 175.07400142 131.2
[M]- 175.07509858 131.2
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.