CID 22140884

Cyclopropanecarbothioamide

Structural Information

Molecular Formula

SMILES

C1CC1C(=S)N

InChI

InChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)

InChIKey

IIPJWNFOLPDTEQ-UHFFFAOYSA-N

Compound name

cyclopropanecarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 411
Patents: 101.02992 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]+	102.03720	119.0
[M+Na]+	124.01914	130.0
[M+NH4]+	119.06374	128.9
[M+K]+	139.99308	124.7
[M-H]-	100.02264	127.6
[M+Na-2H]-	122.00459	126.2
[M]+	101.02937	124.3
[M]-	101.03047	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe