CID 20666

4542-46-5

Structural Information

Molecular Formula
C6H13NOS
SMILES
C1COCCN1CCS
InChI
InChI=1S/C6H13NOS/c9-6-3-7-1-4-8-5-2-7/h9H,1-6H2
InChIKey
YZVWMFBVTTUSAW-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethanethiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

445
Patents

147.0718 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 129.0
[M+Na]+ 170.06102 134.9
[M-H]- 146.06452 131.3
[M+NH4]+ 165.10562 148.2
[M+K]+ 186.03496 135.1
[M+H-H2O]+ 130.06906 122.9
[M+HCOO]- 192.07000 143.2
[M+CH3COO]- 206.08565 171.8
[M+Na-2H]- 168.04647 133.2
[M]+ 147.07125 128.2
[M]- 147.07235 128.2
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