CID 86627905

1103931-43-6

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N(C)C(C)(C)CO

InChI

InChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11(6)10(4,5)7-12/h12H,7H2,1-6H3

InChIKey

KOQZYYCXXXYLFD-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 203.15215 Da
Monoisotopic Mass: 1.0
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]+	204.159426	147.6
[M+Na]+	226.141368	153.2
[M-H]-	202.144874	148.1
[M+NH4]+	221.185973	166.9
[M+K]+	242.115308	154.7
[M+H-H2O]+	186.149410	143.4
[M+HCOO]-	248.150351	167.1
[M+CH3COO]-	262.166001	189.6
[M+Na-2H]-	224.126816	152.2
[M]+	203.15160142	150.8
[M]-	203.15269858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe