CID 12600300

3-methylthiomorpholine

Structural Information

Molecular Formula
C5H11NS
SMILES
CC1CSCCN1
InChI
InChI=1S/C5H11NS/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3
InChIKey
KZZPRWYOUNLBQK-UHFFFAOYSA-N
Compound name
3-methylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

117.06122 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 122.2
[M+Na]+ 140.05044 128.0
[M-H]- 116.05394 122.6
[M+NH4]+ 135.09504 143.1
[M+K]+ 156.02438 126.1
[M+H-H2O]+ 100.05848 116.7
[M+HCOO]- 162.05942 135.6
[M+CH3COO]- 176.07507 164.3
[M+Na-2H]- 138.03589 125.5
[M]+ 117.06067 117.2
[M]- 117.06177 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

No literature data available for this compound.

Patent stripe

patents stripe