CID 117953863

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

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(C)(C)OC(=O)NC1(COC1)C#C
InChI
InChI=1S/C10H15NO3/c1-5-10(6-13-7-10)11-8(12)14-9(2,3)4/h1H,6-7H2,2-4H3,(H,11,12)
InChIKey
CGTDXHSWFMCFEL-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-ethynyloxetan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

197.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 146.0
[M+Na]+ 220.09442 150.4
[M+NH4]+ 215.13902 146.7
[M+K]+ 236.06836 144.4
[M-H]- 196.09792 136.6
[M+Na-2H]- 218.07987 145.2
[M]+ 197.10465 142.1
[M]- 197.10575 142.1
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

patents stripe