CID 111930096

1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol

Structural Information

Molecular Formula

C₁₀H₂₁NOS

SMILES

CCC(CN1CCSC(C1)(C)C)O

InChI

InChI=1S/C10H21NOS/c1-4-9(12)7-11-5-6-13-10(2,3)8-11/h9,12H,4-8H2,1-3H3

InChIKey

DUPGHMJFXSAIRK-UHFFFAOYSA-N

Compound name

1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.13438 Da
Monoisotopic Mass: 1.6
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]+	204.141656	146.1
[M+Na]+	226.123598	151.1
[M-H]-	202.127104	146.2
[M+NH4]+	221.168203	165.8
[M+K]+	242.097538	149.1
[M+H-H2O]+	186.131640	140.9
[M+HCOO]-	248.132581	157.1
[M+CH3COO]-	262.148231	182.8
[M+Na-2H]-	224.109046	146.7
[M]+	203.13383142	144.5
[M]-	203.13492858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.