CID 93502779

2290891-86-8

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CC[C@H](CCO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H21NO3/c1-5-8(6-7-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1

InChIKey

BUQMELIOJVZHGM-MRVPVSSYSA-N

Compound name

tert-butyl N-[(3R)-1-hydroxypentan-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.15215 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]+	204.15943	149.0
[M+Na]+	226.14137	155.6
[M+NH4]+	221.18597	154.4
[M+K]+	242.11531	152.8
[M-H]-	202.14487	146.3
[M+Na-2H]-	224.12682	149.8
[M]+	203.15160	148.7
[M]-	203.15270	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.