CID 69385577

Schembl5280446

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

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

InChI

InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-10(9-13)6-4-5-7-14/h10,14H,4-9H2,1-3H3

InChIKey

BIIGFSPPGLTVPP-UHFFFAOYSA-N

Compound name

tert-butyl 3-(4-hydroxybutyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 229.1678 Da
Monoisotopic Mass: 1.5
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]+	230.17508	157.5
[M+Na]+	252.15702	161.3
[M-H]-	228.16052	157.7
[M+NH4]+	247.20162	167.4
[M+K]+	268.13096	163.4
[M+H-H2O]+	212.16506	146.4
[M+HCOO]-	274.16600	173.1
[M+CH3COO]-	288.18165	191.7
[M+Na-2H]-	250.14247	159.2
[M]+	229.16725	167.8
[M]-	229.16835	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe