CID 154577217

2418642-68-7

Structural Information

Molecular Formula

C₁₄H₂₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)N2CCC(CC2)CN

InChI

InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-12(10-17)16-6-4-11(8-15)5-7-16/h11-12H,4-10,15H2,1-3H3

InChIKey

MDIJGNVUOOBYIE-UHFFFAOYSA-N

Compound name

tert-butyl 3-[4-(aminomethyl)piperidin-1-yl]azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.21033 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]+	270.217606	169.5
[M+Na]+	292.199548	171.2
[M-H]-	268.203054	171.4
[M+NH4]+	287.244153	176.2
[M+K]+	308.173488	172.9
[M+H-H2O]+	252.207590	155.7
[M+HCOO]-	314.208531	182.0
[M+CH3COO]-	328.224181	202.9
[M+Na-2H]-	290.184996	168.9
[M]+	269.20978142	173.4
[M]-	269.21087858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.