CID 34725

4-hydroxy-2,2,5,5-tetramethyltetrahydro-3-furanmethanol

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]+ 175.13288 133.9
[M+Na]+ 197.11482 143.0
[M-H]- 173.11832 136.3
[M+NH4]+ 192.15942 158.2
[M+K]+ 213.08876 142.6
[M+H-H2O]+ 157.12286 132.2
[M+HCOO]- 219.12380 153.0
[M+CH3COO]- 233.13945 175.9
[M+Na-2H]- 195.10027 139.2
[M]+ 174.12505 134.9
[M]- 174.12615 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.