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

849
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 148.8
[M+Na]+ 229.10598 158.1
[M-H]- 205.10948 149.5
[M+NH4]+ 224.15058 164.8
[M+K]+ 245.07992 156.7
[M+H-H2O]+ 189.11402 134.8
[M+HCOO]- 251.11496 166.2
[M+CH3COO]- 265.13061 200.6
[M+Na-2H]- 227.09143 152.0
[M]+ 206.11621 144.5
[M]- 206.11731 144.5
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