CID 63787826

Tert-butyl n-(4-methoxybutyl)carbamate

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NCCCCOC

InChI

InChI=1S/C10H21NO3/c1-10(2,3)14-9(12)11-7-5-6-8-13-4/h5-8H2,1-4H3,(H,11,12)

InChIKey

NRIMNJXWDPLBNK-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-methoxybutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 203.15215 Da
Monoisotopic Mass: 1.5
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]+	204.15943	148.5
[M+Na]+	226.14137	156.1
[M+NH4]+	221.18597	154.4
[M+K]+	242.11531	152.1
[M-H]-	202.14487	146.6
[M+Na-2H]-	224.12682	150.3
[M]+	203.15160	148.7
[M]-	203.15270	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe