CID 83913068

Tert-butyl 3-[(piperidin-3-yl)methyl]azetidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)CC2CCCNC2

InChI

InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-12(10-16)7-11-5-4-6-15-8-11/h11-12,15H,4-10H2,1-3H3

InChIKey

HLRVBHDGGATSCS-UHFFFAOYSA-N

Compound name

tert-butyl 3-(piperidin-3-ylmethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.19943 Da
Monoisotopic Mass: 1.8
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]+	255.206706	164.1
[M+Na]+	277.188648	165.6
[M-H]-	253.192154	164.9
[M+NH4]+	272.233253	171.1
[M+K]+	293.162588	166.7
[M+H-H2O]+	237.196690	151.1
[M+HCOO]-	299.197631	174.9
[M+CH3COO]-	313.213281	195.0
[M+Na-2H]-	275.174096	164.5
[M]+	254.19888142	167.6
[M]-	254.19997858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.