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 141.3
[M+Na]+ 220.09442 147.8
[M-H]- 196.09792 144.2
[M+NH4]+ 215.13902 153.1
[M+K]+ 236.06836 151.7
[M+H-H2O]+ 180.10246 126.7
[M+HCOO]- 242.10340 155.5
[M+CH3COO]- 256.11905 194.9
[M+Na-2H]- 218.07987 147.1
[M]+ 197.10465 145.2
[M]- 197.10575 145.2
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