CID 386199

1-(dimethylamino)cyclopropanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN(C)C1(CC1)C(=O)O

InChI

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

InChIKey

NQAIVVRCFAMKLM-UHFFFAOYSA-N

Compound name

1-(dimethylamino)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 129.07898 Da
Monoisotopic Mass: -2.1
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]+	130.08626	128.3
[M+Na]+	152.06820	139.0
[M+NH4]+	147.11280	138.0
[M+K]+	168.04214	135.0
[M-H]-	128.07170	136.0
[M+Na-2H]-	150.05365	136.8
[M]+	129.07843	133.0
[M]-	129.07953	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe