CID 34708

5-isobutyl-5-methyltetrahydro-3-furanol

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C)CC1(CC(CO1)O)C
InChI
InChI=1S/C9H18O2/c1-7(2)4-9(3)5-8(10)6-11-9/h7-8,10H,4-6H2,1-3H3
InChIKey
AFAJBVARUOVQBX-UHFFFAOYSA-N
Compound name
5-methyl-5-(2-methylpropyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 135.7
[M+Na]+ 181.11990 142.1
[M-H]- 157.12340 138.4
[M+NH4]+ 176.16450 158.6
[M+K]+ 197.09384 142.5
[M+H-H2O]+ 141.12794 132.1
[M+HCOO]- 203.12888 155.0
[M+CH3COO]- 217.14453 175.0
[M+Na-2H]- 179.10535 139.6
[M]+ 158.13013 135.0
[M]- 158.13123 135.0
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.