CID 3061400

79128-35-1

Structural Information

Molecular Formula
C5H11NS
SMILES
CC1NCCCS1
InChI
InChI=1S/C5H11NS/c1-5-6-3-2-4-7-5/h5-6H,2-4H2,1H3
InChIKey
KZWRWFXEEGOSCH-UHFFFAOYSA-N
Compound name
2-methyl-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

117.06122 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 122.4
[M+Na]+ 140.05044 133.0
[M+NH4]+ 135.09504 132.2
[M+K]+ 156.02438 125.0
[M-H]- 116.05394 124.3
[M+Na-2H]- 138.03589 127.4
[M]+ 117.06067 124.8
[M]- 117.06177 124.8
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