CID 155971311

Tert-butyl 3-(2-hydroxy-2-methylpropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)CC(C)(C)O

InChI

InChI=1S/C12H23NO3/c1-11(2,3)16-10(14)13-7-9(8-13)6-12(4,5)15/h9,15H,6-8H2,1-5H3

InChIKey

KQKKCSGNMNTPCA-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-hydroxy-2-methylpropyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.1678 Da
Monoisotopic Mass: 1.4
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]+	230.175076	157.3
[M+Na]+	252.157018	161.5
[M-H]-	228.160524	157.9
[M+NH4]+	247.201623	167.4
[M+K]+	268.130958	164.1
[M+H-H2O]+	212.165060	147.0
[M+HCOO]-	274.166001	171.5
[M+CH3COO]-	288.181651	192.2
[M+Na-2H]-	250.142466	160.0
[M]+	229.16725142	167.1
[M]-	229.16834858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.