CID 45078695

476371-64-9

Structural Information

Molecular Formula
C7H10N4
SMILES
CC(C)C1=C(C(=NN1)N)C#N
InChI
InChI=1S/C7H10N4/c1-4(2)6-5(3-8)7(9)11-10-6/h4H,1-2H3,(H3,9,10,11)
InChIKey
RBJFTKKSKNDXEF-UHFFFAOYSA-N
Compound name
3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.097826 132.4
[M+Na]+ 173.079768 142.0
[M-H]- 149.083274 131.5
[M+NH4]+ 168.124373 149.5
[M+K]+ 189.053708 139.8
[M+H-H2O]+ 133.087810 118.6
[M+HCOO]- 195.088751 149.9
[M+CH3COO]- 209.104401 189.4
[M+Na-2H]- 171.065216 135.2
[M]+ 150.09000142 124.7
[M]- 150.09109858 124.7
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