CID 10375541

526218-21-3

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

CC(C)C(C(C)(C)COCC(=C)C)O

InChI

InChI=1S/C12H24O2/c1-9(2)7-14-8-12(5,6)11(13)10(3)4/h10-11,13H,1,7-8H2,2-6H3

InChIKey

GNVAISZHADZKJR-UHFFFAOYSA-N

Compound name

2,2,4-trimethyl-1-(2-methylprop-2-enoxy)pentan-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 200.17763 Da
Monoisotopic Mass: 3.2
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]+	201.18491	150.6
[M+Na]+	223.16685	158.2
[M+NH4]+	218.21145	156.7
[M+K]+	239.14079	154.8
[M-H]-	199.17035	147.9
[M+Na-2H]-	221.15230	151.4
[M]+	200.17708	150.7
[M]-	200.17818	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe