CID 13626924

Thiomorpholin-3-ylmethanol

Structural Information

Molecular Formula
C5H11NOS
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

144
Patents

133.05614 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 126.1
[M+Na]+ 156.04536 131.4
[M-H]- 132.04886 125.0
[M+NH4]+ 151.08996 145.5
[M+K]+ 172.01930 128.9
[M+H-H2O]+ 116.05340 120.7
[M+HCOO]- 178.05434 138.3
[M+CH3COO]- 192.06999 163.6
[M+Na-2H]- 154.03081 129.0
[M]+ 133.05559 120.7
[M]- 133.05669 120.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe