CID 22222305

21762-92-5

Structural Information

Molecular Formula
C6H8N4
SMILES
CC1=C(C(=NN1C)N)C#N
InChI
InChI=1S/C6H8N4/c1-4-5(3-7)6(8)9-10(4)2/h1-2H3,(H2,8,9)
InChIKey
YFYUIVCSYNXULP-UHFFFAOYSA-N
Compound name
3-amino-1,5-dimethylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

136.07489 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08217 125.3
[M+Na]+ 159.06411 136.7
[M-H]- 135.06761 126.1
[M+NH4]+ 154.10871 143.9
[M+K]+ 175.03805 135.1
[M+H-H2O]+ 119.07215 111.8
[M+HCOO]- 181.07309 145.4
[M+CH3COO]- 195.08874 189.3
[M+Na-2H]- 157.04956 129.6
[M]+ 136.07434 119.9
[M]- 136.07544 119.9
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