CID 3084129

Terbuprol

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CC(C)(C)OCC(COC)O

InChI

InChI=1S/C8H18O3/c1-8(2,3)11-6-7(9)5-10-4/h7,9H,5-6H2,1-4H3

InChIKey

KCCPBJDUXBCOSN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 52
Patents: 162.1256 Da
Monoisotopic Mass: 0.3
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]+	163.132876	137.9
[M+Na]+	185.114818	144.2
[M-H]-	161.118324	136.8
[M+NH4]+	180.159423	158.4
[M+K]+	201.088758	144.8
[M+H-H2O]+	145.122860	133.8
[M+HCOO]-	207.123801	157.8
[M+CH3COO]-	221.139451	177.0
[M+Na-2H]-	183.100266	142.9
[M]+	162.12505142	141.3
[M]-	162.12614858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe