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]+ 219.116176 147.9
[M+Na]+ 241.098118 151.0
[M-H]- 217.101624 149.1
[M+NH4]+ 236.142723 158.5
[M+K]+ 257.072058 152.9
[M+H-H2O]+ 201.106160 134.7
[M+HCOO]- 263.107101 162.5
[M+CH3COO]- 277.122751 192.2
[M+Na-2H]- 239.083566 147.9
[M]+ 218.10835142 159.0
[M]- 218.10944858 159.0
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.