CID 10681562

(1-boc-4-piperidinylidene)acetic acid

Structural Information

Molecular Formula

C₁₂H₁₉NO₄

SMILES

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

InChI

InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)

InChIKey

PICPNXSVAVWVIC-UHFFFAOYSA-N

Compound name

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 241.13141 Da
Monoisotopic Mass: 1.1
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]+	242.138686	155.5
[M+Na]+	264.120628	160.0
[M-H]-	240.124134	155.6
[M+NH4]+	259.165233	171.0
[M+K]+	280.094568	158.9
[M+H-H2O]+	224.128670	149.7
[M+HCOO]-	286.129611	170.0
[M+CH3COO]-	300.145261	187.7
[M+Na-2H]-	262.106076	156.8
[M]+	241.13086142	153.0
[M]-	241.13195858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe