CID 146082032

2133732-05-3

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
CC(CNC(=O)N1CC(C1)CO)SC
InChI
InChI=1S/C9H18N2O2S/c1-7(14-2)3-10-9(13)11-4-8(5-11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKey
HVMMUWACPGYGHS-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1089 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11618 150.4
[M+Na]+ 241.09812 152.9
[M+NH4]+ 236.14272 152.8
[M+K]+ 257.07206 149.4
[M-H]- 217.10162 147.0
[M+Na-2H]- 239.08357 149.2
[M]+ 218.10835 148.6
[M]- 218.10945 148.6
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

No patent data available for this compound.