CID 70645474

1782612-46-7

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(CC1CCN(CC1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C13H26N2O2/c1-10(14)9-11-5-7-15(8-6-11)12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3

InChIKey

YXYQDYQALJVGBP-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 242.19943 Da
Monoisotopic Mass: 1.7
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]+	243.20671	160.0
[M+Na]+	265.18865	167.0
[M+NH4]+	260.23325	166.0
[M+K]+	281.16259	163.6
[M-H]-	241.19215	159.6
[M+Na-2H]-	263.17410	161.7
[M]+	242.19888	160.4
[M]-	242.19998	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe