CID 15818456

2-(1,3,5-dithiazinan-5-yl)ethanol

Structural Information

Molecular Formula
C5H11NOS2
SMILES
C1N(CSCS1)CCO
InChI
InChI=1S/C5H11NOS2/c7-2-1-6-3-8-5-9-4-6/h7H,1-5H2
InChIKey
MJIYILRPIYLFPJ-UHFFFAOYSA-N
Compound name
2-(1,3,5-dithiazinan-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

165.02821 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03549 129.9
[M+Na]+ 188.01743 135.7
[M-H]- 164.02093 129.8
[M+NH4]+ 183.06203 148.9
[M+K]+ 203.99137 132.6
[M+H-H2O]+ 148.02547 124.3
[M+HCOO]- 210.02641 137.9
[M+CH3COO]- 224.04206 171.4
[M+Na-2H]- 186.00288 131.0
[M]+ 165.02766 127.2
[M]- 165.02876 127.2
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