CID 193344

2r58

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CN(C)CCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1

InChIKey

XXEWFEBMSGLYBY-ZETCQYMHSA-N

Compound name

(2S)-2-amino-6-(dimethylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 949
Patents: 174.13683 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]+	175.14411	141.4
[M+Na]+	197.12605	147.7
[M+NH4]+	192.17065	147.4
[M+K]+	213.09999	144.7
[M-H]-	173.12955	140.2
[M+Na-2H]-	195.11150	142.6
[M]+	174.13628	141.4
[M]-	174.13738	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe