CID 575659

6007-64-3

Structural Information

Molecular Formula
C6H13NOS
SMILES
C1CSCCN1CCO
InChI
InChI=1S/C6H13NOS/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
InChIKey
QJYGLIBXIXQRHZ-UHFFFAOYSA-N
Compound name
2-thiomorpholin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
Patents

147.0718 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 129.9
[M+Na]+ 170.06102 135.3
[M-H]- 146.06452 130.1
[M+NH4]+ 165.10562 149.6
[M+K]+ 186.03496 133.5
[M+H-H2O]+ 130.06906 124.1
[M+HCOO]- 192.07000 143.3
[M+CH3COO]- 206.08565 169.3
[M+Na-2H]- 168.04647 132.8
[M]+ 147.07125 126.8
[M]- 147.07235 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe