CID 22594495

198892-80-7

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

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

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h6,14H,4-5,7-9H2,1-3H3

InChIKey

ZNAVZFXRZLNPFW-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-hydroxyethylidene)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 227.15215 Da
Monoisotopic Mass: 0.9
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]+	228.159426	155.0
[M+Na]+	250.141368	159.6
[M-H]-	226.144874	155.0
[M+NH4]+	245.185973	171.4
[M+K]+	266.115308	158.0
[M+H-H2O]+	210.149410	149.1
[M+HCOO]-	272.150351	170.0
[M+CH3COO]-	286.166001	185.5
[M+Na-2H]-	248.126816	157.2
[M]+	227.15160142	152.3
[M]-	227.15269858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe