CID 129918553

1378464-53-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CCC1CC=O

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-8(11)5-7-12/h7-8H,4-6H2,1-3H3

InChIKey

SLHBZJLUKNJYSK-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-oxoethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.12085 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]+	200.12813	145.0
[M+Na]+	222.11007	150.4
[M-H]-	198.11357	147.0
[M+NH4]+	217.15467	156.8
[M+K]+	238.08401	153.3
[M+H-H2O]+	182.11811	134.3
[M+HCOO]-	244.11905	163.1
[M+CH3COO]-	258.13470	187.6
[M+Na-2H]-	220.09552	148.5
[M]+	199.12030	155.8
[M]-	199.12140	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe