CID 34725

3-furanmethanol, tetrahydro-4-hydroxy-2,2,5,5-tetramethyl-

Structural Information

Molecular Formula
C9H18O3
SMILES
CC1(C(C(C(O1)(C)C)O)CO)C
InChI
InChI=1S/C9H18O3/c1-8(2)6(5-10)7(11)9(3,4)12-8/h6-7,10-11H,5H2,1-4H3
InChIKey
VILAIVSWBTYAFJ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2,2,5,5-tetramethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 133.9
[M+Na]+ 197.114818 143.0
[M-H]- 173.118324 136.3
[M+NH4]+ 192.159423 158.2
[M+K]+ 213.088758 142.6
[M+H-H2O]+ 157.122860 132.2
[M+HCOO]- 219.123801 153.0
[M+CH3COO]- 233.139451 175.9
[M+Na-2H]- 195.100266 139.2
[M]+ 174.12505142 134.9
[M]- 174.12614858 134.9
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.