CID 12536780

(2r)-3-(tert-butoxy)-2-methylpropan-1-ol

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

C[C@H](CO)COC(C)(C)C

InChI

InChI=1S/C8H18O2/c1-7(5-9)6-10-8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m1/s1

InChIKey

AARKSKPTFDLLAS-SSDOTTSWSA-N

Compound name

(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 146.13068 Da
Monoisotopic Mass: 1.2
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]+	147.13796	134.9
[M+Na]+	169.11990	141.3
[M-H]-	145.12340	133.9
[M+NH4]+	164.16450	156.1
[M+K]+	185.09384	141.4
[M+H-H2O]+	129.12794	131.1
[M+HCOO]-	191.12888	154.6
[M+CH3COO]-	205.14453	175.0
[M+Na-2H]-	167.10535	139.9
[M]+	146.13013	136.8
[M]-	146.13123	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe