CID 54595768

1354957-79-1

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NCC1CCCC1O

InChI

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

InChIKey

SWYKJBCLLWWIHE-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-hydroxycyclopentyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 215.15215 Da
Monoisotopic Mass: 2.0
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	151.9
[M+Na]+	238.14137	156.4
[M-H]-	214.14487	153.6
[M+NH4]+	233.18597	171.5
[M+K]+	254.11531	155.6
[M+H-H2O]+	198.14941	146.9
[M+HCOO]-	260.15035	171.4
[M+CH3COO]-	274.16600	186.0
[M+Na-2H]-	236.12682	153.7
[M]+	215.15160	150.3
[M]-	215.15270	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe