CID 7131333

956438-59-8

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C8H11N3O2/c1-4-6(7(12)8(9)13)5(2)11(3)10-4/h1-3H3,(H2,9,13)

InChIKey

KFCYMPYODRSZAU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.08513 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]+	182.09241	137.8
[M+Na]+	204.07435	147.4
[M-H]-	180.07785	139.4
[M+NH4]+	199.11895	156.9
[M+K]+	220.04829	146.2
[M+H-H2O]+	164.08239	131.2
[M+HCOO]-	226.08333	160.1
[M+CH3COO]-	240.09898	185.5
[M+Na-2H]-	202.05980	139.0
[M]+	181.08458	138.7
[M]-	181.08568	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe