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]+ 162.058336 131.1
[M+Na]+ 184.040278 136.1
[M-H]- 160.043784 131.7
[M+NH4]+ 179.084883 145.4
[M+K]+ 200.014218 138.0
[M+H-H2O]+ 144.048320 120.9
[M+HCOO]- 206.049261 144.6
[M+CH3COO]- 220.064911 175.4
[M+Na-2H]- 182.025726 133.9
[M]+ 161.05051142 140.4
[M]- 161.05160858 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.