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 152.1
[M+Na]+ 252.10287 156.3
[M-H]- 228.10637 153.6
[M+NH4]+ 247.14747 163.0
[M+K]+ 268.07681 157.5
[M+H-H2O]+ 212.11091 140.3
[M+HCOO]- 274.11185 164.1
[M+CH3COO]- 288.12750 192.2
[M+Na-2H]- 250.08832 151.6
[M]+ 229.11310 163.6
[M]- 229.11420 163.6
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.