CID 44141773

1609406-44-1

Structural Information

Molecular Formula
C7H8N4
SMILES
C1CN2C(=CC(=N2)C#N)CN1
InChI
InChI=1S/C7H8N4/c8-4-6-3-7-5-9-1-2-11(7)10-6/h3,9H,1-2,5H2
InChIKey
RGSBNDIISLKZSJ-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

148.07489 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 127.6
[M+Na]+ 171.064108 137.4
[M-H]- 147.067614 125.6
[M+NH4]+ 166.108713 144.6
[M+K]+ 187.038048 133.0
[M+H-H2O]+ 131.072150 113.0
[M+HCOO]- 193.073091 141.8
[M+CH3COO]- 207.088741 138.3
[M+Na-2H]- 169.049556 133.7
[M]+ 148.07434142 118.6
[M]- 148.07543858 118.6
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

patents stripe