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: 206
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]+	204.159426	149.5
[M+Na]+	226.141368	154.7
[M-H]-	202.144874	149.6
[M+NH4]+	221.185973	168.7
[M+K]+	242.115308	155.6
[M+H-H2O]+	186.149410	144.5
[M+HCOO]-	248.150351	170.5
[M+CH3COO]-	262.166001	189.1
[M+Na-2H]-	224.126816	153.0
[M]+	203.15160142	153.2
[M]-	203.15269858	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe