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 153.3
[M+Na]+ 263.11146 159.1
[M-H]- 239.11496 153.4
[M+NH4]+ 258.15606 168.4
[M+K]+ 279.08540 153.2
[M+H-H2O]+ 223.11950 150.5
[M+HCOO]- 285.12044 174.8
[M+CH3COO]- 299.13609 187.3
[M+Na-2H]- 261.09691 156.8
[M]+ 240.12169 151.2
[M]- 240.12279 151.2
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

No patent data available for this compound.