CID 45788858

1159821-56-3

Structural Information

Molecular Formula

SMILES

C1CC1C2=NC=CS2

InChI

InChI=1S/C6H7NS/c1-2-5(1)6-7-3-4-8-6/h3-5H,1-2H2

InChIKey

QRKNZQKHKDESCU-UHFFFAOYSA-N

Compound name

2-cyclopropyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 431
Patents: 125.02992 Da
Monoisotopic Mass: 1.5
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]+	126.03720	120.1
[M+Na]+	148.01914	131.2
[M-H]-	124.02264	127.0
[M+NH4]+	143.06374	138.6
[M+K]+	163.99308	128.8
[M+H-H2O]+	108.02718	113.8
[M+HCOO]-	170.02812	140.6
[M+CH3COO]-	184.04377	134.9
[M+Na-2H]-	146.00459	124.5
[M]+	125.02937	123.4
[M]-	125.03047	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe