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]+ 176.08183 137.0
[M+Na]+ 198.06377 147.7
[M-H]- 174.06727 135.3
[M+NH4]+ 193.10837 154.9
[M+K]+ 214.03771 143.4
[M+H-H2O]+ 158.07181 122.5
[M+HCOO]- 220.07275 151.1
[M+CH3COO]- 234.08840 147.8
[M+Na-2H]- 196.04922 138.9
[M]+ 175.07400 131.2
[M]- 175.07510 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.