CID 59478525

1091613-74-9

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

CS(=O)(=O)N1CCCCC1CN

InChI

InChI=1S/C7H16N2O2S/c1-12(10,11)9-5-3-2-4-7(9)6-8/h7H,2-6,8H2,1H3

InChIKey

IRLBUQCQAXJMSX-UHFFFAOYSA-N

Compound name

(1-methylsulfonylpiperidin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 192.09325 Da
Monoisotopic Mass: -0.5
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]+	193.100526	140.9
[M+Na]+	215.082468	147.0
[M-H]-	191.085974	142.1
[M+NH4]+	210.127073	159.0
[M+K]+	231.056408	144.7
[M+H-H2O]+	175.090510	134.9
[M+HCOO]-	237.091451	154.7
[M+CH3COO]-	251.107101	180.9
[M+Na-2H]-	213.067916	143.3
[M]+	192.09270142	138.0
[M]-	192.09379858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe