CID 276228

3-amino-1-(propan-2-yl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C7H10N4
SMILES
CC(C)N1C=C(C(=N1)N)C#N
InChI
InChI=1S/C7H10N4/c1-5(2)11-4-6(3-8)7(9)10-11/h4-5H,1-2H3,(H2,9,10)
InChIKey
JJGDYVYAZMFKEY-UHFFFAOYSA-N
Compound name
3-amino-1-propan-2-ylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

49
Patents

150.09055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09783 130.8
[M+Na]+ 173.07977 140.8
[M-H]- 149.08327 131.1
[M+NH4]+ 168.12437 148.6
[M+K]+ 189.05371 139.3
[M+H-H2O]+ 133.08781 116.8
[M+HCOO]- 195.08875 149.6
[M+CH3COO]- 209.10440 191.7
[M+Na-2H]- 171.06522 134.1
[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

literature stripe

Patent stripe

patents stripe