CID 118519664

1620280-47-8

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

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

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12(4)8-6-5-7-9-13/h9H,5-8H2,1-4H3

InChIKey

IFKAFSIOTPTILM-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(5-oxopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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	151.8
[M+Na]+	238.14137	157.3
[M-H]-	214.14487	153.2
[M+NH4]+	233.18597	171.2
[M+K]+	254.11531	158.3
[M+H-H2O]+	198.14941	146.5
[M+HCOO]-	260.15035	174.2
[M+CH3COO]-	274.16600	193.8
[M+Na-2H]-	236.12682	155.4
[M]+	215.15160	157.1
[M]-	215.15270	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe