CID 12572469

N-(1-benzyl-1h-pyrazol-3-yl)acetamide

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

CC(=O)NC1=NN(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O/c1-10(16)13-12-7-8-15(14-12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,16)

InChIKey

XASMBFUCDPRHTK-UHFFFAOYSA-N

Compound name

N-(1-benzylpyrazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 215.10587 Da
Monoisotopic Mass: 1.3
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]+	216.11315	148.4
[M+Na]+	238.09509	160.6
[M+NH4]+	233.13969	155.9
[M+K]+	254.06903	156.0
[M-H]-	214.09859	151.2
[M+Na-2H]-	236.08054	156.4
[M]+	215.10532	150.7
[M]-	215.10642	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe