CID 4351

68076-36-8

Structural Information

Molecular Formula

C₉H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCN

InChI

InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)

InChIKey

ZFQWJXFJJZUVPI-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-aminobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2943
Patents: 188.15248 Da
Monoisotopic Mass: 0.7
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]+	189.15976	145.3
[M+Na]+	211.14170	151.8
[M+NH4]+	206.18630	151.2
[M+K]+	227.11564	148.2
[M-H]-	187.14520	143.9
[M+Na-2H]-	209.12715	146.9
[M]+	188.15193	145.3
[M]-	188.15303	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe