CID 76482030

En300-1893824

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC1CCCCN

InChI

InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-6-8-11(15)7-4-5-9-14/h11H,4-10,14H2,1-3H3

InChIKey

WTBOMRIVBYHYQG-UHFFFAOYSA-N

Compound name

tert-butyl 2-(4-aminobutyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	162.5
[M+Na]+	265.18865	166.6
[M-H]-	241.19215	163.3
[M+NH4]+	260.23325	180.2
[M+K]+	281.16259	165.3
[M+H-H2O]+	225.19669	155.9
[M+HCOO]-	287.19763	180.7
[M+CH3COO]-	301.21328	194.5
[M+Na-2H]-	263.17410	162.5
[M]+	242.19888	161.6
[M]-	242.19998	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe