CID 15946567

1255098-55-5

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

COC(=O)C(CCC1CCOCC1)N

InChI

InChI=1S/C10H19NO3/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8/h8-9H,2-7,11H2,1H3

InChIKey

WVNMFPGYVRGPLK-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-(oxan-4-yl)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 201.13649 Da
Monoisotopic Mass: 0.6
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]+	202.14377	148.2
[M+Na]+	224.12571	151.0
[M-H]-	200.12921	150.6
[M+NH4]+	219.17031	164.9
[M+K]+	240.09965	151.8
[M+H-H2O]+	184.13375	141.7
[M+HCOO]-	246.13469	166.4
[M+CH3COO]-	260.15034	186.0
[M+Na-2H]-	222.11116	150.5
[M]+	201.13594	145.2
[M]-	201.13704	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe