CID 21925254

610302-03-9

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NC1CCCC(C1)O

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)

InChIKey

IUKYKMHCKDLTJC-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxycyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 207
Patents: 215.15215 Da
Monoisotopic Mass: 1.6
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	154.5
[M-H]-	214.14487	152.2
[M+NH4]+	233.18597	168.5
[M+K]+	254.11531	153.8
[M+H-H2O]+	198.14941	145.4
[M+HCOO]-	260.15035	168.2
[M+CH3COO]-	274.16600	186.4
[M+Na-2H]-	236.12682	153.7
[M]+	215.15160	147.2
[M]-	215.15270	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe