CID 146082031

2129414-11-3

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
CC(CSC)NC(=O)N1CC(C1)CO
InChI
InChI=1S/C9H18N2O2S/c1-7(6-14-2)10-9(13)11-3-8(4-11)5-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKey
TXHISHRNMRTZTA-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)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]+ 219.116176 151.1
[M+Na]+ 241.098118 153.4
[M-H]- 217.101624 150.9
[M+NH4]+ 236.142723 160.9
[M+K]+ 257.072058 154.9
[M+H-H2O]+ 201.106160 138.0
[M+HCOO]- 263.107101 163.2
[M+CH3COO]- 277.122751 190.6
[M+Na-2H]- 239.083566 149.3
[M]+ 218.10835142 159.7
[M]- 218.10944858 159.7
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.