CID 10352850

143339-58-6

Structural Information

Molecular Formula

C₁₁H₂₅NS

SMILES

C(CCCCCN)CCCCCS

InChI

InChI=1S/C11H25NS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2

InChIKey

DIXRLQJYISYSEL-UHFFFAOYSA-N

Compound name

11-aminoundecane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 1062
Patents: 203.17078 Da
Monoisotopic Mass: 3.7
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	150.2
[M+Na]+	226.16000	154.5
[M-H]-	202.16350	149.0
[M+NH4]+	221.20460	169.5
[M+K]+	242.13394	151.4
[M+H-H2O]+	186.16804	144.1
[M+HCOO]-	248.16898	167.2
[M+CH3COO]-	262.18463	190.3
[M+Na-2H]-	224.14545	150.4
[M]+	203.17023	153.5
[M]-	203.17133	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe