CID 3058095

1-propanethiol, 3-(dibutylamino)-

Structural Information

Molecular Formula

C₁₁H₂₅NS

SMILES

CCCCN(CCCC)CCCS

InChI

InChI=1S/C11H25NS/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3

InChIKey

JSGRWQZZLGODNQ-UHFFFAOYSA-N

Compound name

3-(dibutylamino)propane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 203.17078 Da
Monoisotopic Mass: 3.4
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]+	204.17806	150.8
[M+Na]+	226.16000	155.2
[M-H]-	202.16350	151.7
[M+NH4]+	221.20460	171.0
[M+K]+	242.13394	154.0
[M+H-H2O]+	186.16804	144.4
[M+HCOO]-	248.16898	168.8
[M+CH3COO]-	262.18463	194.6
[M+Na-2H]-	224.14545	151.2
[M]+	203.17023	156.4
[M]-	203.17133	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe