CID 87341033

1259397-10-8

Structural Information

Molecular Formula

C₁₂H₂₃NO₄

SMILES

CCCCCN(CC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H23NO4/c1-5-6-7-8-13(9-10(14)15)11(16)17-12(2,3)4/h5-9H2,1-4H3,(H,14,15)

InChIKey

SFAOQIPMUVFWQI-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.1627 Da
Monoisotopic Mass: 2.5
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]+	246.16998	159.6
[M+Na]+	268.15192	163.9
[M-H]-	244.15542	159.4
[M+NH4]+	263.19652	176.8
[M+K]+	284.12586	164.8
[M+H-H2O]+	228.15996	154.2
[M+HCOO]-	290.16090	179.4
[M+CH3COO]-	304.17655	197.1
[M+Na-2H]-	266.13737	161.0
[M]+	245.16215	164.1
[M]-	245.16325	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe