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

2
Annotation Hits: 0
References: 49
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]+	163.13288	137.9
[M+Na]+	185.11482	144.2
[M-H]-	161.11832	136.8
[M+NH4]+	180.15942	158.4
[M+K]+	201.08876	144.8
[M+H-H2O]+	145.12286	133.8
[M+HCOO]-	207.12380	157.8
[M+CH3COO]-	221.13945	177.0
[M+Na-2H]-	183.10027	142.9
[M]+	162.12505	141.3
[M]-	162.12615	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe