CID 32268

24270-82-4

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(CC(C(O1)(C)C)(C#C)O)C

InChI

InChI=1S/C10H16O2/c1-6-10(11)7-8(2,3)12-9(10,4)5/h1,11H,7H2,2-5H3

InChIKey

IFTDFENRDYQEEN-UHFFFAOYSA-N

Compound name

3-ethynyl-2,2,5,5-tetramethyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 0.7
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]+	169.122316	129.4
[M+Na]+	191.104258	142.2
[M-H]-	167.107764	132.5
[M+NH4]+	186.148863	153.7
[M+K]+	207.078198	138.2
[M+H-H2O]+	151.112300	122.0
[M+HCOO]-	213.113241	144.8
[M+CH3COO]-	227.128891	185.2
[M+Na-2H]-	189.089706	136.1
[M]+	168.11449142	125.7
[M]-	168.11558858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.