CID 2733170

N-boc-1,6-diaminohexane

Structural Information

Molecular Formula

C₁₁H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCCCN

InChI

InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)

InChIKey

RVZPDKXEHIRFPM-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-aminohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2691
Patents: 216.18378 Da
Monoisotopic Mass: 1.4
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]+	217.19106	155.5
[M+Na]+	239.17300	159.6
[M-H]-	215.17650	154.6
[M+NH4]+	234.21760	173.5
[M+K]+	255.14694	158.8
[M+H-H2O]+	199.18104	149.7
[M+HCOO]-	261.18198	177.2
[M+CH3COO]-	275.19763	193.6
[M+Na-2H]-	237.15845	158.7
[M]+	216.18323	156.7
[M]-	216.18433	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe