CID 89804784

2193052-07-0

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC1CC(C1)(C(=O)O)N

InChI

InChI=1S/C6H11NO3/c1-10-4-2-6(7,3-4)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)

InChIKey

CGIAXGVVNPJGHH-UHFFFAOYSA-N

Compound name

1-amino-3-methoxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 145.0739 Da
Monoisotopic Mass: -3.1
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]+	146.08118	131.1
[M+Na]+	168.06312	136.5
[M-H]-	144.06662	133.1
[M+NH4]+	163.10772	146.5
[M+K]+	184.03706	139.4
[M+H-H2O]+	128.07116	121.9
[M+HCOO]-	190.07210	151.6
[M+CH3COO]-	204.08775	177.0
[M+Na-2H]-	166.04857	135.3
[M]+	145.07335	137.9
[M]-	145.07445	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe