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

0
Patents

150.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09783 132.4
[M+Na]+ 173.07977 142.0
[M-H]- 149.08327 131.5
[M+NH4]+ 168.12437 149.5
[M+K]+ 189.05371 139.8
[M+H-H2O]+ 133.08781 118.6
[M+HCOO]- 195.08875 149.9
[M+CH3COO]- 209.10440 189.4
[M+Na-2H]- 171.06522 135.2
[M]+ 150.09000 124.7
[M]- 150.09110 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