CID 120280

1,3-thiazinane

Structural Information

Molecular Formula
C4H9NS
SMILES
C1CNCSC1
InChI
InChI=1S/C4H9NS/c1-2-5-4-6-3-1/h5H,1-4H2
InChIKey
HOQOADCYROWGQA-UHFFFAOYSA-N
Compound name
1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1293
Patents

103.04557 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 118.2
[M+Na]+ 126.03479 128.7
[M+NH4]+ 121.07939 128.2
[M+K]+ 142.00873 120.6
[M-H]- 102.03829 120.0
[M+Na-2H]- 124.02024 123.7
[M]+ 103.04502 120.5
[M]- 103.04612 120.5
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