CID 2734401

39124-20-4

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1COCCC1(C(=O)O)N

InChI

InChI=1S/C6H11NO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)

InChIKey

DPDPQQHHTHKSRN-UHFFFAOYSA-N

Compound name

4-aminooxane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1095
Patents: 145.0739 Da
Monoisotopic Mass: -3.2
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]+	146.081176	129.2
[M+Na]+	168.063118	134.4
[M-H]-	144.066624	131.2
[M+NH4]+	163.107723	149.5
[M+K]+	184.037058	135.1
[M+H-H2O]+	128.071160	124.6
[M+HCOO]-	190.072101	148.1
[M+CH3COO]-	204.087751	170.6
[M+Na-2H]-	166.048566	135.6
[M]+	145.07335142	124.0
[M]-	145.07444858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe