CID 740336

N-(3,5-dimethyl-1h-pyrazol-4-yl)butanamide

Structural Information

Molecular Formula
C9H15N3O
SMILES
CCCC(=O)NC1=C(NN=C1C)C
InChI
InChI=1S/C9H15N3O/c1-4-5-8(13)10-9-6(2)11-12-7(9)3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
YCTQOGOFEYWARP-UHFFFAOYSA-N
Compound name
N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

181.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 141.7
[M+Na]+ 204.11072 149.7
[M-H]- 180.11422 141.7
[M+NH4]+ 199.15532 160.3
[M+K]+ 220.08466 147.2
[M+H-H2O]+ 164.11876 134.7
[M+HCOO]- 226.11970 163.3
[M+CH3COO]- 240.13535 182.6
[M+Na-2H]- 202.09617 144.7
[M]+ 181.12095 141.4
[M]- 181.12205 141.4
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

No patent data available for this compound.