CID 10656219

157634-02-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCCCC1C=O

InChI

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

InChIKey

KZNDGAGWQPGYTB-UHFFFAOYSA-N

Compound name

tert-butyl 2-formylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 442
Patents: 213.13649 Da
Monoisotopic Mass: 1.5
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	149.3
[M+Na]+	236.12571	154.6
[M-H]-	212.12921	150.8
[M+NH4]+	231.17031	166.8
[M+K]+	252.09965	154.2
[M+H-H2O]+	196.13375	143.3
[M+HCOO]-	258.13469	166.1
[M+CH3COO]-	272.15034	185.7
[M+Na-2H]-	234.11116	152.6
[M]+	213.13594	148.2
[M]-	213.13704	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe