CID 45072485

878799-20-3

Structural Information

Molecular Formula

C₉H₂₀N₂O₂

SMILES

CC(CCNC(=O)OC(C)(C)C)N

InChI

InChI=1S/C9H20N2O2/c1-7(10)5-6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)

InChIKey

MSCLVLGMLLYXFV-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-aminobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 188.15248 Da
Monoisotopic Mass: 0.8
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]+	189.15976	146.7
[M+Na]+	211.14170	151.4
[M-H]-	187.14520	146.3
[M+NH4]+	206.18630	165.8
[M+K]+	227.11564	151.7
[M+H-H2O]+	171.14974	141.4
[M+HCOO]-	233.15068	168.1
[M+CH3COO]-	247.16633	188.4
[M+Na-2H]-	209.12715	149.6
[M]+	188.15193	146.5
[M]-	188.15303	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe