CID 780388

126647-17-4

Structural Information

Molecular Formula

C₁₁H₁₇N₃OS

SMILES

CN1CCCC1=NC(=S)CN2CCCC2=O

InChI

InChI=1S/C11H17N3OS/c1-13-6-2-4-9(13)12-10(16)8-14-7-3-5-11(14)15/h2-8H2,1H3

InChIKey

DNCZFMOGMRMAGQ-UHFFFAOYSA-N

Compound name

N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 239.10924 Da
Monoisotopic Mass: 0.0
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]+	240.11652	157.8
[M+Na]+	262.09846	164.2
[M-H]-	238.10196	163.1
[M+NH4]+	257.14306	177.3
[M+K]+	278.07240	161.9
[M+H-H2O]+	222.10650	150.5
[M+HCOO]-	284.10744	173.6
[M+CH3COO]-	298.12309	192.5
[M+Na-2H]-	260.08391	153.6
[M]+	239.10869	155.9
[M]-	239.10979	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe