CID 21935337

1779408-35-3

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₄

SMILES

CC(C)(C)OC(=O)NC(CC1CCN(CC1)C)C(=O)O

InChI

InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11(12(17)18)9-10-5-7-16(4)8-6-10/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)

InChIKey

VVKTUQJMJLIFES-UHFFFAOYSA-N

Compound name

3-(1-methylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 286.18927 Da
Monoisotopic Mass: -0.6
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]+	287.196546	169.2
[M+Na]+	309.178488	171.3
[M-H]-	285.181994	168.8
[M+NH4]+	304.223093	182.4
[M+K]+	325.152428	170.9
[M+H-H2O]+	269.186530	162.6
[M+HCOO]-	331.187471	182.8
[M+CH3COO]-	345.203121	201.3
[M+Na-2H]-	307.163936	168.7
[M]+	286.18872142	166.7
[M]-	286.18981858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe