CID 5288041

(2r)-2-amino-6-hydroxyhexanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C(CCO)C[C@H](C(=O)O)N

InChI

InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m1/s1

InChIKey

OLUWXTFAPJJWPL-RXMQYKEDSA-N

Compound name

(2R)-2-amino-6-hydroxyhexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 147.08954 Da
Monoisotopic Mass: -2.8
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]+	148.09682	133.0
[M+Na]+	170.07876	138.2
[M-H]-	146.08226	129.9
[M+NH4]+	165.12336	152.1
[M+K]+	186.05270	137.4
[M+H-H2O]+	130.08680	128.1
[M+HCOO]-	192.08774	153.0
[M+CH3COO]-	206.10339	173.0
[M+Na-2H]-	168.06421	135.4
[M]+	147.08899	130.8
[M]-	147.09009	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe