CID 138039638

2241140-25-8

Structural Information

Molecular Formula
C8H10IN3O
SMILES
CC(=O)N1CCN2C(=C(C=N2)I)C1
InChI
InChI=1S/C8H10IN3O/c1-6(13)11-2-3-12-8(5-11)7(9)4-10-12/h4H,2-3,5H2,1H3
InChIKey
ODOPHILDNOMVLP-UHFFFAOYSA-N
Compound name
1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.98685 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99413 137.8
[M+Na]+ 313.97607 139.8
[M-H]- 289.97957 131.6
[M+NH4]+ 309.02067 151.9
[M+K]+ 329.95001 143.5
[M+H-H2O]+ 273.98411 127.1
[M+HCOO]- 335.98505 151.2
[M+CH3COO]- 350.00070 189.6
[M+Na-2H]- 311.96152 131.0
[M]+ 290.98630 134.2
[M]- 290.98740 134.2
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.