CID 72207479

3-amino-1-methylcyclobutanecarboxylic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

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

InChI

InChI=1S/C6H11NO2/c1-6(5(8)9)2-4(7)3-6/h4H,2-3,7H2,1H3,(H,8,9)

InChIKey

BGWPVFAAAKGBOU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 129.07898 Da
Monoisotopic Mass: -2.5
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]+	130.086256	128.9
[M+Na]+	152.068198	134.5
[M-H]-	128.071704	131.0
[M+NH4]+	147.112803	145.1
[M+K]+	168.042138	136.9
[M+H-H2O]+	112.076240	120.0
[M+HCOO]-	174.077181	149.2
[M+CH3COO]-	188.092831	174.9
[M+Na-2H]-	150.053646	133.1
[M]+	129.07843142	134.3
[M]-	129.07952858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe