CID 91490467

Tert-butyl 3-acetyl-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

CC(=O)C1(CN(C1)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C10H17NO4/c1-7(12)10(14)5-11(6-10)8(13)15-9(2,3)4/h14H,5-6H2,1-4H3

InChIKey

CPZFLRBNXAUBSA-UHFFFAOYSA-N

Compound name

tert-butyl 3-acetyl-3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.11575 Da
Monoisotopic Mass: -0.2
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]+	216.123026	150.5
[M+Na]+	238.104968	155.8
[M-H]-	214.108474	151.5
[M+NH4]+	233.149573	162.8
[M+K]+	254.078908	159.1
[M+H-H2O]+	198.113010	141.4
[M+HCOO]-	260.113951	166.2
[M+CH3COO]-	274.129601	187.5
[M+Na-2H]-	236.090416	153.5
[M]+	215.11520142	160.6
[M]-	215.11629858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe