CID 91758945

Tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CCC1(CN(C1)C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C11H21NO3/c1-5-11(8-13)6-12(7-11)9(14)15-10(2,3)4/h13H,5-8H2,1-4H3

InChIKey

UZGKJBDWKKBQKC-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 215.15215 Da
Monoisotopic Mass: 1.2
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]+	216.159426	153.3
[M+Na]+	238.141368	158.4
[M-H]-	214.144874	154.1
[M+NH4]+	233.185973	165.9
[M+K]+	254.115308	160.9
[M+H-H2O]+	198.149410	144.0
[M+HCOO]-	260.150351	169.3
[M+CH3COO]-	274.166001	188.4
[M+Na-2H]-	236.126816	156.8
[M]+	215.15160142	163.6
[M]-	215.15269858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe