CID 107298402

N-[(thiolan-3-yl)methyl]formamide

Structural Information

Molecular Formula

SMILES

C1CSCC1CNC=O

InChI

InChI=1S/C6H11NOS/c8-5-7-3-6-1-2-9-4-6/h5-6H,1-4H2,(H,7,8)

InChIKey

NCDNEUNGXCTNPS-UHFFFAOYSA-N

Compound name

N-(thiolan-3-ylmethyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.05614 Da
Monoisotopic Mass: 0.6
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]+	146.063416	129.7
[M+Na]+	168.045358	136.0
[M-H]-	144.048864	133.0
[M+NH4]+	163.089963	152.9
[M+K]+	184.019298	134.5
[M+H-H2O]+	128.053400	124.3
[M+HCOO]-	190.054341	149.1
[M+CH3COO]-	204.069991	172.9
[M+Na-2H]-	166.030806	132.1
[M]+	145.05559142	128.6
[M]-	145.05668858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.