CID 19031556

4-(dimethylamino)butane-1-thiol

Structural Information

Molecular Formula

SMILES

CN(C)CCCCS

InChI

InChI=1S/C6H15NS/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3

InChIKey

BFOCABWAUPCJFR-UHFFFAOYSA-N

Compound name

4-(dimethylamino)butane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 133.09251 Da
Monoisotopic Mass: 1.3
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]+	134.09979	128.4
[M+Na]+	156.08173	134.9
[M-H]-	132.08523	130.3
[M+NH4]+	151.12633	151.4
[M+K]+	172.05567	135.0
[M+H-H2O]+	116.08977	123.0
[M+HCOO]-	178.09071	148.0
[M+CH3COO]-	192.10636	179.5
[M+Na-2H]-	154.06718	131.4
[M]+	133.09196	132.2
[M]-	133.09306	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe