CID 676642

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

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1=C(C(=NN1C(=O)C)C)NC(=O)C
InChI
InChI=1S/C9H13N3O2/c1-5-9(10-7(3)13)6(2)12(11-5)8(4)14/h1-4H3,(H,10,13)
InChIKey
QFRRIQDMXQWFKM-UHFFFAOYSA-N
Compound name
N-(1-acetyl-3,5-dimethylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.4
[M+Na]+ 218.08999 151.8
[M-H]- 194.09349 144.4
[M+NH4]+ 213.13459 161.4
[M+K]+ 234.06393 150.6
[M+H-H2O]+ 178.09803 135.7
[M+HCOO]- 240.09897 165.0
[M+CH3COO]- 254.11462 187.8
[M+Na-2H]- 216.07544 144.1
[M]+ 195.10022 144.5
[M]- 195.10132 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

literature stripe

Patent stripe

No patent data available for this compound.