CID 4167036

82277-17-6

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

C1CCC(C1)OC(=O)NCCCCC(C(=O)O)N

InChI

InChI=1S/C12H22N2O4/c13-10(11(15)16)7-3-4-8-14-12(17)18-9-5-1-2-6-9/h9-10H,1-8,13H2,(H,14,17)(H,15,16)

InChIKey

ZHGGYCNHXLZKHG-UHFFFAOYSA-N

Compound name

2-amino-6-(cyclopentyloxycarbonylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 258.15796 Da
Monoisotopic Mass: -1.3
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]+	259.165236	162.4
[M+Na]+	281.147178	163.6
[M-H]-	257.150684	162.6
[M+NH4]+	276.191783	178.5
[M+K]+	297.121118	162.8
[M+H-H2O]+	241.155220	155.3
[M+HCOO]-	303.156161	181.8
[M+CH3COO]-	317.171811	195.9
[M+Na-2H]-	279.132626	160.4
[M]+	258.15741142	158.8
[M]-	258.15850858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe