CID 14854943

99207-32-6

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

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

InChI

InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11(4)7-5-6-8-12/h12H,5-8H2,1-4H3

InChIKey

BYPKFIHBBILFGE-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-hydroxybutyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 239
Patents: 203.15215 Da
Monoisotopic Mass: 1.1
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	148.6
[M+Na]+	226.14137	155.8
[M+NH4]+	221.18597	154.4
[M+K]+	242.11531	152.7
[M-H]-	202.14487	146.4
[M+Na-2H]-	224.12682	150.0
[M]+	203.15160	148.6
[M]-	203.15270	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe