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

26
Patents

197.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 141.3
[M+Na]+ 220.094418 147.8
[M-H]- 196.097924 144.2
[M+NH4]+ 215.139023 153.1
[M+K]+ 236.068358 151.7
[M+H-H2O]+ 180.102460 126.7
[M+HCOO]- 242.103401 155.5
[M+CH3COO]- 256.119051 194.9
[M+Na-2H]- 218.079866 147.1
[M]+ 197.10465142 145.2
[M]- 197.10574858 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