CID 77827

Usaf wi-4

Structural Information

Molecular Formula

C₁₁H₁₁NO₂S

SMILES

COC1=CC=C(C=C1)N2C(=O)CCC2=S

InChI

InChI=1S/C11H11NO2S/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11(12)15/h2-5H,6-7H2,1H3

InChIKey

BCDLKDLNQZXPBJ-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-5-sulfanylidenepyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 221.05106 Da
Monoisotopic Mass: 0.7
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]+	222.05834	148.8
[M+Na]+	244.04028	160.9
[M+NH4]+	239.08488	157.3
[M+K]+	260.01422	154.1
[M-H]-	220.04378	151.7
[M+Na-2H]-	242.02573	154.3
[M]+	221.05051	151.7
[M]-	221.05161	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe