CID 4519556

123311-22-8

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC1(CC1(C(=O)O)N)C

InChI

InChI=1S/C6H11NO2/c1-5(2)3-6(5,7)4(8)9/h3,7H2,1-2H3,(H,8,9)

InChIKey

CUDYUNNRMLWYTR-UHFFFAOYSA-N

Compound name

1-amino-2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 267
Patents: 129.07898 Da
Monoisotopic Mass: -2.2
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	124.6
[M+Na]+	152.068198	134.8
[M-H]-	128.071704	128.5
[M+NH4]+	147.112803	144.6
[M+K]+	168.042138	134.1
[M+H-H2O]+	112.076240	122.3
[M+HCOO]-	174.077181	146.5
[M+CH3COO]-	188.092831	175.2
[M+Na-2H]-	150.053646	131.5
[M]+	129.07843142	126.5
[M]-	129.07952858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe