CID 35953

Carbamorph

Structural Information

Molecular Formula

C₈H₁₆N₂OS₂

SMILES

CN(C)C(=S)SCN1CCOCC1

InChI

InChI=1S/C8H16N2OS2/c1-9(2)8(12)13-7-10-3-5-11-6-4-10/h3-7H2,1-2H3

InChIKey

MPKTWNYCNKUVKZ-UHFFFAOYSA-N

Compound name

morpholin-4-ylmethyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5035
Patents: 220.0704 Da
Monoisotopic Mass: 1.0
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]+	221.07768	146.6
[M+Na]+	243.05962	151.0
[M-H]-	219.06312	149.6
[M+NH4]+	238.10422	163.2
[M+K]+	259.03356	150.0
[M+H-H2O]+	203.06766	139.6
[M+HCOO]-	265.06860	154.9
[M+CH3COO]-	279.08425	189.5
[M+Na-2H]-	241.04507	146.5
[M]+	220.06985	146.2
[M]-	220.07095	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe