CID 23070141

1803603-95-3

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

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

InChI

InChI=1S/C7H13NO2/c1-8(2)5-7(3-4-7)6(9)10/h3-5H2,1-2H3,(H,9,10)

InChIKey

IAQPYMSFAIDGFT-UHFFFAOYSA-N

Compound name

1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 143.09464 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]+	144.10192	130.3
[M+Na]+	166.08386	138.7
[M-H]-	142.08736	135.3
[M+NH4]+	161.12846	148.5
[M+K]+	182.05780	138.6
[M+H-H2O]+	126.09190	125.8
[M+HCOO]-	188.09284	153.5
[M+CH3COO]-	202.10849	181.1
[M+Na-2H]-	164.06931	136.4
[M]+	143.09409	133.8
[M]-	143.09519	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe