CID 3034708

65573-11-7

Structural Information

Molecular Formula

SMILES

CCC(C)OC(=S)NC

InChI

InChI=1S/C6H13NOS/c1-4-5(2)8-6(9)7-3/h5H,4H2,1-3H3,(H,7,9)

InChIKey

VZSMOJOGXIVYNV-UHFFFAOYSA-N

Compound name

O-butan-2-yl N-methylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 147.0718 Da
Monoisotopic Mass: 1.9
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	132.1
[M+Na]+	170.061018	138.3
[M-H]-	146.064524	132.6
[M+NH4]+	165.105623	153.8
[M+K]+	186.034958	137.6
[M+H-H2O]+	130.069060	126.9
[M+HCOO]-	192.070001	149.6
[M+CH3COO]-	206.085651	177.2
[M+Na-2H]-	168.046466	133.5
[M]+	147.07125142	133.9
[M]-	147.07234858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe