CID 10584700

159635-22-0

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(=C)C(C1)O

InChI

InChI=1S/C11H19NO3/c1-8-5-6-12(7-9(8)13)10(14)15-11(2,3)4/h9,13H,1,5-7H2,2-4H3

InChIKey

IMRNHROGUGVTAI-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxy-4-methylidenepiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 213.13649 Da
Monoisotopic Mass: 0.8
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]+	214.143766	149.4
[M+Na]+	236.125708	155.3
[M-H]-	212.129214	149.9
[M+NH4]+	231.170313	166.5
[M+K]+	252.099648	153.9
[M+H-H2O]+	196.133750	144.0
[M+HCOO]-	258.134691	164.7
[M+CH3COO]-	272.150341	184.4
[M+Na-2H]-	234.111156	151.5
[M]+	213.13594142	146.8
[M]-	213.13703858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe