CID 54346107

136671-91-5

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CN(C1)CCC(=O)O

InChI

InChI=1S/C6H11NO2/c8-6(9)2-5-7-3-1-4-7/h1-5H2,(H,8,9)

InChIKey

UCKKIMVYGSUKJT-UHFFFAOYSA-N

Compound name

3-(azetidin-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 129.07898 Da
Monoisotopic Mass: -2.4
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]+	130.08626	125.8
[M+Na]+	152.06820	130.9
[M-H]-	128.07170	126.4
[M+NH4]+	147.11280	139.2
[M+K]+	168.04214	133.5
[M+H-H2O]+	112.07624	115.1
[M+HCOO]-	174.07718	144.8
[M+CH3COO]-	188.09283	172.7
[M+Na-2H]-	150.05365	130.8
[M]+	129.07843	133.0
[M]-	129.07953	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe