CID 137199621

2092431-11-1

Structural Information

Molecular Formula
C8H10N4
SMILES
CC1CCN2C(=C(C=N2)C#N)N1
InChI
InChI=1S/C8H10N4/c1-6-2-3-12-8(11-6)7(4-9)5-10-12/h5-6,11H,2-3H2,1H3
InChIKey
FKURNPMVEXUGKP-UHFFFAOYSA-N
Compound name
5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.09055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 132.0
[M+Na]+ 185.07977 142.1
[M-H]- 161.08327 130.1
[M+NH4]+ 180.12437 148.7
[M+K]+ 201.05371 137.6
[M+H-H2O]+ 145.08781 117.5
[M+HCOO]- 207.08875 145.8
[M+CH3COO]- 221.10440 142.6
[M+Na-2H]- 183.06522 136.9
[M]+ 162.09000 123.6
[M]- 162.09110 123.6
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

No patent data available for this compound.