CID 177798257

Tert-butyl n-(3-ethynyloxetan-3-yl)-n-methylcarbamate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N(C)C1(COC1)C#C
InChI
InChI=1S/C11H17NO3/c1-6-11(7-14-8-11)12(5)9(13)15-10(2,3)4/h1H,7-8H2,2-5H3
InChIKey
CAATVURZNHYEJL-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-ethynyloxetan-3-yl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 144.8
[M+Na]+ 234.110068 151.1
[M-H]- 210.113574 148.8
[M+NH4]+ 229.154673 156.7
[M+K]+ 250.084008 155.9
[M+H-H2O]+ 194.118110 130.0
[M+HCOO]- 256.119051 159.2
[M+CH3COO]- 270.134701 200.5
[M+Na-2H]- 232.095516 149.6
[M]+ 211.12030142 150.1
[M]- 211.12139858 150.1
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.