CID 2763194

98541-64-1

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

CC(C)(C)OC(=O)N[C@H]1COC1=O

InChI

InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1

InChIKey

HRJDEHQWXAPGBG-YFKPBYRVSA-N

Compound name

tert-butyl N-[(3S)-2-oxooxetan-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 273
Patents: 187.08446 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.09174	143.7
[M+Na]+	210.07368	147.5
[M+NH4]+	205.11828	145.6
[M+K]+	226.04762	147.0
[M-H]-	186.07718	141.1
[M+Na-2H]-	208.05913	143.2
[M]+	187.08391	141.9
[M]-	187.08501	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe