CID 21495166

2-ethylthiomorpholine

Structural Information

Molecular Formula
C6H13NS
SMILES
CCC1CNCCS1
InChI
InChI=1S/C6H13NS/c1-2-6-5-7-3-4-8-6/h6-7H,2-5H2,1H3
InChIKey
HBLYPCZZIIUFRO-UHFFFAOYSA-N
Compound name
2-ethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

131.07687 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 126.5
[M+Na]+ 154.06609 132.0
[M-H]- 130.06959 126.7
[M+NH4]+ 149.11069 146.9
[M+K]+ 170.04003 129.7
[M+H-H2O]+ 114.07413 120.9
[M+HCOO]- 176.07507 139.7
[M+CH3COO]- 190.09072 167.3
[M+Na-2H]- 152.05154 129.3
[M]+ 131.07632 121.9
[M]- 131.07742 121.9
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