CID 54595974

20415-77-4

Structural Information

Molecular Formula

C₇H₇BrN₂OS

SMILES

C1CC1C(=O)NC2=NC=C(S2)Br

InChI

InChI=1S/C7H7BrN2OS/c8-5-3-9-7(12-5)10-6(11)4-1-2-4/h3-4H,1-2H2,(H,9,10,11)

InChIKey

MXJKAJTZKDDREU-UHFFFAOYSA-N

Compound name

N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 245.94624 Da
Monoisotopic Mass: 1.9
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]+	246.95352	135.7
[M+Na]+	268.93546	149.8
[M-H]-	244.93896	145.1
[M+NH4]+	263.98006	153.2
[M+K]+	284.90940	137.5
[M+H-H2O]+	228.94350	135.0
[M+HCOO]-	290.94444	154.2
[M+CH3COO]-	304.96009	190.7
[M+Na-2H]-	266.92091	140.5
[M]+	245.94569	156.8
[M]-	245.94679	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe