CID 19034078

Tert-butyl 3-(3-hydroxypropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

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

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(8-12)5-4-6-13/h9,13H,4-8H2,1-3H3

InChIKey

GTUCWIHPIAGCEC-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-hydroxypropyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
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	152.8
[M+Na]+	238.141368	157.0
[M-H]-	214.144874	153.2
[M+NH4]+	233.185973	163.3
[M+K]+	254.115308	159.4
[M+H-H2O]+	198.149410	141.9
[M+HCOO]-	260.150351	168.8
[M+CH3COO]-	274.166001	188.8
[M+Na-2H]-	236.126816	155.1
[M]+	215.15160142	162.7
[M]-	215.15269858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe