CID 545709

179412-96-5

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CC(CCCO)NC(=O)OC(C)(C)C

InChI

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

InChIKey

NRRUAIDJASETCY-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-hydroxypentan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 203.15215 Da
Monoisotopic Mass: 1.4
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]+	204.159426	150.2
[M+Na]+	226.141368	154.9
[M-H]-	202.144874	148.8
[M+NH4]+	221.185973	168.6
[M+K]+	242.115308	154.9
[M+H-H2O]+	186.149410	145.4
[M+HCOO]-	248.150351	169.7
[M+CH3COO]-	262.166001	186.5
[M+Na-2H]-	224.126816	153.1
[M]+	203.15160142	151.9
[M]-	203.15269858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe