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]+ 196.108046 142.4
[M+Na]+ 218.089988 151.8
[M-H]- 194.093494 144.4
[M+NH4]+ 213.134593 161.4
[M+K]+ 234.063928 150.6
[M+H-H2O]+ 178.098030 135.7
[M+HCOO]- 240.098971 165.0
[M+CH3COO]- 254.114621 187.8
[M+Na-2H]- 216.075436 144.1
[M]+ 195.10022142 144.5
[M]- 195.10131858 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.