CID 54349985

2-(azetidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C(=O)O)N1CCC1

InChI

InChI=1S/C6H11NO2/c1-5(6(8)9)7-3-2-4-7/h5H,2-4H2,1H3,(H,8,9)

InChIKey

UFAWZEXRUMEVNX-UHFFFAOYSA-N

Compound name

2-(azetidin-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 129.07898 Da
Monoisotopic Mass: -1.9
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]+	130.086256	127.5
[M+Na]+	152.068198	132.2
[M-H]-	128.071704	128.1
[M+NH4]+	147.112803	140.7
[M+K]+	168.042138	135.3
[M+H-H2O]+	112.076240	116.7
[M+HCOO]-	174.077181	145.5
[M+CH3COO]-	188.092831	173.6
[M+Na-2H]-	150.053646	131.1
[M]+	129.07843142	134.0
[M]-	129.07952858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe