CID 53249196

614745-80-1

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CCNCC1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H26N2O2/c1-5-14-10-11-6-8-15(9-7-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3

InChIKey

GGCSYCMKWQRFMZ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 242.19943 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]+	243.20671	161.3
[M+Na]+	265.18865	164.6
[M-H]-	241.19215	162.3
[M+NH4]+	260.23325	177.4
[M+K]+	281.16259	163.7
[M+H-H2O]+	225.19669	154.5
[M+HCOO]-	287.19763	178.0
[M+CH3COO]-	301.21328	195.5
[M+Na-2H]-	263.17410	163.6
[M]+	242.19888	159.4
[M]-	242.19998	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe