CID 34732

3-furanol, tetrahydro-2,2,4,5,5-pentamethyl-

Structural Information

Molecular Formula
C9H18O2
SMILES
CC1C(C(OC1(C)C)(C)C)O
InChI
InChI=1S/C9H18O2/c1-6-7(10)9(4,5)11-8(6,2)3/h6-7,10H,1-5H3
InChIKey
FAZUTHJTMSZUMO-UHFFFAOYSA-N
Compound name
2,2,4,5,5-pentamethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 129.4
[M+Na]+ 181.119898 138.9
[M-H]- 157.123404 133.3
[M+NH4]+ 176.164503 155.1
[M+K]+ 197.093838 139.0
[M+H-H2O]+ 141.127940 127.6
[M+HCOO]- 203.128881 149.8
[M+CH3COO]- 217.144531 176.3
[M+Na-2H]- 179.105346 135.1
[M]+ 158.13013142 130.7
[M]- 158.13122858 130.7
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.