CID 14953857

2-methylthiomorpholine

Structural Information

Molecular Formula
C5H11NS
SMILES
CC1CNCCS1
InChI
InChI=1S/C5H11NS/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3
InChIKey
MHHCLPHGZOISFK-UHFFFAOYSA-N
Compound name
2-methylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

701
Patents

117.06122 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 122.2
[M+Na]+ 140.050438 128.0
[M-H]- 116.053944 122.6
[M+NH4]+ 135.095043 143.1
[M+K]+ 156.024378 126.1
[M+H-H2O]+ 100.058480 116.7
[M+HCOO]- 162.059421 135.6
[M+CH3COO]- 176.075071 164.3
[M+Na-2H]- 138.035886 125.5
[M]+ 117.06067142 117.2
[M]- 117.06176858 117.2
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