CID 125449367

Tert-butyl 3-[(ethenylsulfanyl)methyl]azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H19NO2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)CSC=C
InChI
InChI=1S/C11H19NO2S/c1-5-15-8-9-6-12(7-9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKey
FVDFTMYMIACAHU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(ethenylsulfanylmethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12093 153.4
[M+Na]+ 252.10287 157.5
[M+NH4]+ 247.14747 156.1
[M+K]+ 268.07681 153.3
[M-H]- 228.10637 149.7
[M+Na-2H]- 250.08832 152.9
[M]+ 229.11310 152.0
[M]- 229.11420 152.0
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.