CID 20487058

1343884-98-9

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)CCSC

InChI

InChI=1S/C6H13NOS/c1-7(2)6(8)4-5-9-3/h4-5H2,1-3H3

InChIKey

BCXVNRSWSDSJET-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-methylsulfanylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 147.0718 Da
Monoisotopic Mass: 0.3
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]+	148.079076	131.3
[M+Na]+	170.061018	137.9
[M-H]-	146.064524	133.3
[M+NH4]+	165.105623	153.7
[M+K]+	186.034958	138.2
[M+H-H2O]+	130.069060	125.9
[M+HCOO]-	192.070001	150.4
[M+CH3COO]-	206.085651	180.6
[M+Na-2H]-	168.046466	133.2
[M]+	147.07125142	135.1
[M]-	147.07234858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe