CID 155978365

Methyl 3-(methylsulfanyl)azetidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H11NO2S
SMILES
COC(=O)C1(CNC1)SC
InChI
InChI=1S/C6H11NO2S/c1-9-5(8)6(10-2)3-7-4-6/h7H,3-4H2,1-2H3
InChIKey
VOBAKXXVZROXMC-UHFFFAOYSA-N
Compound name
methyl 3-methylsulfanylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 131.1
[M+Na]+ 184.04028 136.1
[M-H]- 160.04378 131.7
[M+NH4]+ 179.08488 145.4
[M+K]+ 200.01422 138.0
[M+H-H2O]+ 144.04832 120.9
[M+HCOO]- 206.04926 144.6
[M+CH3COO]- 220.06491 175.4
[M+Na-2H]- 182.02573 133.9
[M]+ 161.05051 140.4
[M]- 161.05161 140.4
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.