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

32
Patents

117.06122 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe