CID 9964448

118156-93-7

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C=O

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h8-9H,4-7H2,1-3H3

InChIKey

CTVHINDANRPFIL-UHFFFAOYSA-N

Compound name

tert-butyl 3-formylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 869
Patents: 213.13649 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]+	214.14377	149.6
[M+Na]+	236.12571	158.6
[M+NH4]+	231.17031	155.9
[M+K]+	252.09965	154.5
[M-H]-	212.12921	148.7
[M+Na-2H]-	234.11116	152.4
[M]+	213.13594	150.3
[M]-	213.13704	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe