CID 34731

2,2,3,5,5-pentamethyltetrahydro-3-furanol

Structural Information

Molecular Formula
C9H18O2
SMILES
CC1(CC(C(O1)(C)C)(C)O)C
InChI
InChI=1S/C9H18O2/c1-7(2)6-9(5,10)8(3,4)11-7/h10H,6H2,1-5H3
InChIKey
NUKMFPSAYVQCKQ-UHFFFAOYSA-N
Compound name
2,2,3,5,5-pentamethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 130.7
[M+Na]+ 181.11990 140.7
[M+NH4]+ 176.16450 143.2
[M+K]+ 197.09384 132.8
[M-H]- 157.12340 132.7
[M+Na-2H]- 179.10535 138.5
[M]+ 158.13013 133.2
[M]- 158.13123 133.2
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.