CID 57415900

1-boc-3-hydroxy-3-(aminomethyl)azetidine

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,4-6,10H2,1-3H3

InChIKey

NVEHYSKQUSAZBP-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 202.13174 Da
Monoisotopic Mass: -0.9
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]+	203.139016	151.0
[M+Na]+	225.120958	155.7
[M-H]-	201.124464	151.4
[M+NH4]+	220.165563	163.2
[M+K]+	241.094898	158.5
[M+H-H2O]+	185.129000	141.1
[M+HCOO]-	247.129941	167.8
[M+CH3COO]-	261.145591	186.8
[M+Na-2H]-	223.106406	154.4
[M]+	202.13119142	158.7
[M]-	202.13228858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe