CID 1514393

168540-07-6

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NC1(CCCC1)CO

InChI

InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-11(8-13)6-4-5-7-11/h13H,4-8H2,1-3H3,(H,12,14)

InChIKey

KORMKULLVQEUDG-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(hydroxymethyl)cyclopentyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
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	150.8
[M+Na]+	238.14137	156.7
[M+NH4]+	233.18597	158.4
[M+K]+	254.11531	153.4
[M-H]-	214.14487	149.7
[M+Na-2H]-	236.12682	154.1
[M]+	215.15160	151.0
[M]-	215.15270	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe