CID 175787

1h-pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-n-methyl-

Structural Information

Molecular Formula
C10H14N4O
SMILES
CC(C)(C)N1C(=C(C=N1)C(=O)NC)C#N
InChI
InChI=1S/C10H14N4O/c1-10(2,3)14-8(5-11)7(6-13-14)9(15)12-4/h6H,1-4H3,(H,12,15)
InChIKey
JLUPSFKBYGTZJQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-5-cyano-N-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

838
Patents

206.11676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12404 147.1
[M+Na]+ 229.10598 156.1
[M+NH4]+ 224.15058 149.8
[M+K]+ 245.07992 150.8
[M-H]- 205.10948 139.2
[M+Na-2H]- 227.09143 148.5
[M]+ 206.11621 145.1
[M]- 206.11731 145.1
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