CID 106300353

1690823-96-1

Structural Information

Molecular Formula

C₁₁H₂₀ClNO₃

SMILES

CC(C)(C)OC(=O)NC1(CCOCC1)CCl

InChI

InChI=1S/C11H20ClNO3/c1-10(2,3)16-9(14)13-11(8-12)4-6-15-7-5-11/h4-8H2,1-3H3,(H,13,14)

InChIKey

IBJFEVCZJVVMMI-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.11317 Da
Monoisotopic Mass: 1.7
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]+	250.120446	156.1
[M+Na]+	272.102388	161.0
[M-H]-	248.105894	159.5
[M+NH4]+	267.146993	174.5
[M+K]+	288.076328	160.3
[M+H-H2O]+	232.110430	152.0
[M+HCOO]-	294.111371	169.6
[M+CH3COO]-	308.127021	191.1
[M+Na-2H]-	270.087836	162.1
[M]+	249.11262142	156.9
[M]-	249.11371858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.