CID 170912284

Tert-butyl 3-ethynyl-3-(methoxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(COC)C#C
InChI
InChI=1S/C12H19NO3/c1-6-12(9-15-5)7-13(8-12)10(14)16-11(2,3)4/h1H,7-9H2,2-5H3
InChIKey
ASTXUIROESDTBG-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-(methoxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 147.8
[M+Na]+ 248.125708 155.1
[M-H]- 224.129214 149.0
[M+NH4]+ 243.170313 159.2
[M+K]+ 264.099648 157.8
[M+H-H2O]+ 208.133750 133.1
[M+HCOO]- 270.134691 160.3
[M+CH3COO]- 284.150341 199.2
[M+Na-2H]- 246.111156 151.3
[M]+ 225.13594142 153.4
[M]- 225.13703858 153.4
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.