CID 14929049

Tert-butyl n-(5-oxohexyl)carbamate

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(=O)CCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H21NO3/c1-9(13)7-5-6-8-12-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,14)

InChIKey

YSBSLGMWGAIEEA-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-oxohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 215.15215 Da
Monoisotopic Mass: 1.3
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]+	216.15943	152.5
[M+Na]+	238.14137	157.6
[M-H]-	214.14487	152.5
[M+NH4]+	233.18597	171.1
[M+K]+	254.11531	157.6
[M+H-H2O]+	198.14941	147.4
[M+HCOO]-	260.15035	173.4
[M+CH3COO]-	274.16600	191.2
[M+Na-2H]-	236.12682	155.5
[M]+	215.15160	155.9
[M]-	215.15270	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe