CID 1236012

515847-82-2

Structural Information

Molecular Formula

C₁₀H₁₁N₃OS

SMILES

CN1C(=CC=N1)C(=O)NCC2=CC=CS2

InChI

InChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)

InChIKey

KZOMSPKSWBGZMC-UHFFFAOYSA-N

Compound name

2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.06229 Da
Monoisotopic Mass: 1.1
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]+	222.06957	147.2
[M+Na]+	244.05151	157.3
[M-H]-	220.05501	152.9
[M+NH4]+	239.09611	167.1
[M+K]+	260.02545	154.4
[M+H-H2O]+	204.05955	139.9
[M+HCOO]-	266.06049	168.8
[M+CH3COO]-	280.07614	186.5
[M+Na-2H]-	242.03696	148.5
[M]+	221.06174	151.2
[M]-	221.06284	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.