CID 71089163

1158759-68-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN)C(=O)O

InChI

InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-8,13H2,1-3H3,(H,15,16)

InChIKey

SGBYRPSBHDZIED-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 258.15796 Da
Monoisotopic Mass: -2.3
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	160.3
[M+Na]+	281.147178	164.5
[M-H]-	257.150684	160.0
[M+NH4]+	276.191783	176.6
[M+K]+	297.121118	164.1
[M+H-H2O]+	241.155220	155.2
[M+HCOO]-	303.156161	174.9
[M+CH3COO]-	317.171811	193.4
[M+Na-2H]-	279.132626	162.3
[M]+	258.15741142	157.2
[M]-	258.15850858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe