CID 121553195

1695082-42-8

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)NC1(CCNCC1)CC(=O)O

InChI

InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-12(8-9(15)16)4-6-13-7-5-12/h13H,4-8H2,1-3H3,(H,14,17)(H,15,16)

InChIKey

ACPIGFWOZJZBNC-UHFFFAOYSA-N

Compound name

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 258.15796 Da
Monoisotopic Mass: -1.4
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	161.2
[M+Na]+	281.147178	163.9
[M-H]-	257.150684	159.5
[M+NH4]+	276.191783	176.5
[M+K]+	297.121118	162.9
[M+H-H2O]+	241.155220	155.8
[M+HCOO]-	303.156161	174.8
[M+CH3COO]-	317.171811	190.3
[M+Na-2H]-	279.132626	164.3
[M]+	258.15741142	156.7
[M]-	258.15850858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe