CID 32274

3-hydroxy-2,2,5,5-tetramethyltetrahydro-3-furyl methyl ketone

Structural Information

Molecular Formula
C10H18O3
SMILES
CC(=O)C1(CC(OC1(C)C)(C)C)O
InChI
InChI=1S/C10H18O3/c1-7(11)10(12)6-8(2,3)13-9(10,4)5/h12H,6H2,1-5H3
InChIKey
WZUUKKCWNCMNGA-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 134.0
[M+Na]+ 209.11482 143.1
[M-H]- 185.11832 137.8
[M+NH4]+ 204.15942 160.0
[M+K]+ 225.08876 143.6
[M+H-H2O]+ 169.12286 132.9
[M+HCOO]- 231.12380 153.5
[M+CH3COO]- 245.13945 180.3
[M+Na-2H]- 207.10027 140.2
[M]+ 186.12505 136.0
[M]- 186.12615 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.