CID 22660113

220878-25-1

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CC(C)(C)OC(=O)NCCC1(CCCC1)C(=O)O

InChI

InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9-8-13(10(15)16)6-4-5-7-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)

InChIKey

NHQDQUZHMILHAT-UHFFFAOYSA-N

Compound name

1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 257.16272 Da
Monoisotopic Mass: 2.2
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]+	258.169996	161.9
[M+Na]+	280.151938	165.5
[M-H]-	256.155444	163.2
[M+NH4]+	275.196543	181.3
[M+K]+	296.125878	164.8
[M+H-H2O]+	240.159980	157.5
[M+HCOO]-	302.160921	180.1
[M+CH3COO]-	316.176571	192.5
[M+Na-2H]-	278.137386	163.8
[M]+	257.16217142	161.1
[M]-	257.16326858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe