CID 3061960

5-methyl-n-(3-methylbutyl)-4-nitro-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CC1=C(C(=NN1)C(=O)NCCC(C)C)[N+](=O)[O-]
InChI
InChI=1S/C10H16N4O3/c1-6(2)4-5-11-10(15)8-9(14(16)17)7(3)12-13-8/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13)
InChIKey
AOELMFMTTMGGBN-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-methylbutyl)-4-nitro-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 152.7
[M+Na]+ 263.11146 161.2
[M+NH4]+ 258.15606 157.4
[M+K]+ 279.08540 162.5
[M-H]- 239.11496 152.4
[M+Na-2H]- 261.09691 154.5
[M]+ 240.12169 153.1
[M]- 240.12279 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.