CID 13626924

Thiomorpholin-3-ylmethanol

Structural Information

Molecular Formula

SMILES

C1CSCC(N1)CO

InChI

InChI=1S/C5H11NOS/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2

InChIKey

MXFNPNPWOIRFCE-UHFFFAOYSA-N

Compound name

thiomorpholin-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 133.05614 Da
Monoisotopic Mass: -0.4
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]+	134.063416	126.1
[M+Na]+	156.045358	131.4
[M-H]-	132.048864	125.0
[M+NH4]+	151.089963	145.5
[M+K]+	172.019298	128.9
[M+H-H2O]+	116.053400	120.7
[M+HCOO]-	178.054341	138.3
[M+CH3COO]-	192.069991	163.6
[M+Na-2H]-	154.030806	129.0
[M]+	133.05559142	120.7
[M]-	133.05668858	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe