CID 33507

26419-73-8

Structural Information

Molecular Formula

C₈H₁₄N₂O₂S₂

SMILES

CC1CSC(S1)(C)C=NOC(=O)NC

InChI

InChI=1S/C8H14N2O2S2/c1-6-4-13-8(2,14-6)5-10-12-7(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)

InChIKey

GHFMMRFMDHDOBP-UHFFFAOYSA-N

Compound name

[(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 734
Patents: 234.04967 Da
Monoisotopic Mass: 1.8
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]+	235.05695	148.8
[M+Na]+	257.03889	155.2
[M-H]-	233.04239	153.0
[M+NH4]+	252.08349	170.9
[M+K]+	273.01283	153.0
[M+H-H2O]+	217.04693	143.7
[M+HCOO]-	279.04787	163.2
[M+CH3COO]-	293.06352	191.8
[M+Na-2H]-	255.02434	149.7
[M]+	234.04912	151.0
[M]-	234.05022	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe