CID 155858339

2401563-07-1

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
COCC1CN(C1)C(=O)NCCSC
InChI
InChI=1S/C9H18N2O2S/c1-13-7-8-5-11(6-8)9(12)10-3-4-14-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKey
JCYHMRKSTICYAG-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-N-(2-methylsulfanylethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1089 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11618 148.6
[M+Na]+ 241.09812 152.0
[M+NH4]+ 236.14272 151.5
[M+K]+ 257.07206 147.5
[M-H]- 217.10162 145.9
[M+Na-2H]- 239.08357 148.4
[M]+ 218.10835 147.2
[M]- 218.10945 147.2
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

No patent data available for this compound.