CID 41031989

1017502-16-7

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

CC1=C(C(=NN1C)C)CC(=O)N

InChI

InChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12)

InChIKey

JQSGNNVZAVLVHV-UHFFFAOYSA-N

Compound name

2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.10587 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.11315	136.1
[M+Na]+	190.09509	145.9
[M-H]-	166.09859	137.6
[M+NH4]+	185.13969	156.0
[M+K]+	206.06903	144.2
[M+H-H2O]+	150.10313	129.5
[M+HCOO]-	212.10407	159.0
[M+CH3COO]-	226.11972	183.4
[M+Na-2H]-	188.08054	138.5
[M]+	167.10532	136.9
[M]-	167.10642	136.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.