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]+ 182.128776 141.7
[M+Na]+ 204.110718 149.7
[M-H]- 180.114224 141.7
[M+NH4]+ 199.155323 160.3
[M+K]+ 220.084658 147.2
[M+H-H2O]+ 164.118760 134.7
[M+HCOO]- 226.119701 163.3
[M+CH3COO]- 240.135351 182.6
[M+Na-2H]- 202.096166 144.7
[M]+ 181.12095142 141.4
[M]- 181.12204858 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.