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]+ 163.097826 132.0
[M+Na]+ 185.079768 142.1
[M-H]- 161.083274 130.1
[M+NH4]+ 180.124373 148.7
[M+K]+ 201.053708 137.6
[M+H-H2O]+ 145.087810 117.5
[M+HCOO]- 207.088751 145.8
[M+CH3COO]- 221.104401 142.6
[M+Na-2H]- 183.065216 136.9
[M]+ 162.09000142 123.6
[M]- 162.09109858 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.