CID 82386717

1205748-73-7

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)CCN

InChI

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

InChIKey

KIWAXOBIGFPKSJ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-aminoethyl)azepane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 242.19943 Da
Monoisotopic Mass: 1.6
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	157.4
[M+Na]+	265.18865	163.1
[M+NH4]+	260.23325	162.8
[M+K]+	281.16259	160.6
[M-H]-	241.19215	157.0
[M+Na-2H]-	263.17410	159.6
[M]+	242.19888	157.8
[M]-	242.19998	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe