CID 14876726

609805-42-7

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CN(C)C1CCC(CC1)C(=O)O

InChI

InChI=1S/C9H17NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)

InChIKey

GTUZTWPXWNPFPX-UHFFFAOYSA-N

Compound name

4-(dimethylamino)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 171.12593 Da
Monoisotopic Mass: -1.2
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]+	172.13321	138.7
[M+Na]+	194.11515	147.4
[M+NH4]+	189.15975	146.6
[M+K]+	210.08909	143.1
[M-H]-	170.11865	140.2
[M+Na-2H]-	192.10060	142.4
[M]+	171.12538	140.0
[M]-	171.12648	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe