CID 1747749

134354-67-9

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

C[C@@]1(CCOC[C@@H]1NCC(=O)O)O

InChI

InChI=1S/C8H15NO4/c1-8(12)2-3-13-5-6(8)9-4-7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11)/t6-,8-/m0/s1

InChIKey

CHRXIJXXDQWKCQ-XPUUQOCRSA-N

Compound name

2-[[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.10011 Da
Monoisotopic Mass: -3.3
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]+	190.107386	140.4
[M+Na]+	212.089328	145.1
[M-H]-	188.092834	141.4
[M+NH4]+	207.133933	158.7
[M+K]+	228.063268	145.4
[M+H-H2O]+	172.097370	135.7
[M+HCOO]-	234.098311	158.0
[M+CH3COO]-	248.113961	178.3
[M+Na-2H]-	210.074776	145.8
[M]+	189.09956142	136.9
[M]-	189.10065858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.