CID 122164177

1989659-47-3

Structural Information

Molecular Formula

C₁₃H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2CC(C2)C(=O)O

InChI

InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-10(7-14)8-4-9(5-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)

InChIKey

CTRHAKDBMSOFHK-UHFFFAOYSA-N

Compound name

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.14706 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]+	256.15434	156.3
[M+Na]+	278.13628	157.9
[M-H]-	254.13978	159.2
[M+NH4]+	273.18088	158.1
[M+K]+	294.11022	163.4
[M+H-H2O]+	238.14432	140.5
[M+HCOO]-	300.14526	168.3
[M+CH3COO]-	314.16091	204.2
[M+Na-2H]-	276.12173	155.5
[M]+	255.14651	171.9
[M]-	255.14761	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe