CID 121553321

1909288-04-5

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC1(CC(C1)(C(=O)O)N)O

InChI

InChI=1S/C6H11NO3/c1-5(10)2-6(7,3-5)4(8)9/h10H,2-3,7H2,1H3,(H,8,9)

InChIKey

FWDCYSRMGBFGKZ-UHFFFAOYSA-N

Compound name

1-amino-3-hydroxy-3-methylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 145.0739 Da
Monoisotopic Mass: -3.5
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]+	146.081176	133.8
[M+Na]+	168.063118	139.7
[M-H]-	144.066624	134.9
[M+NH4]+	163.107723	150.4
[M+K]+	184.037058	141.8
[M+H-H2O]+	128.071160	126.3
[M+HCOO]-	190.072101	152.7
[M+CH3COO]-	204.087751	174.4
[M+Na-2H]-	166.048566	138.5
[M]+	145.07335142	139.2
[M]-	145.07444858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe