CID 34710

5-butyl-5-methyltetrahydro-3-furanol

Structural Information

Molecular Formula
C9H18O2
SMILES
CCCCC1(CC(CO1)O)C
InChI
InChI=1S/C9H18O2/c1-3-4-5-9(2)6-8(10)7-11-9/h8,10H,3-7H2,1-2H3
InChIKey
RSASFMWFUQRKDA-UHFFFAOYSA-N
Compound name
5-butyl-5-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 135.2
[M+Na]+ 181.11990 141.8
[M-H]- 157.12340 137.8
[M+NH4]+ 176.16450 158.1
[M+K]+ 197.09384 141.7
[M+H-H2O]+ 141.12794 131.4
[M+HCOO]- 203.12888 155.5
[M+CH3COO]- 217.14453 174.2
[M+Na-2H]- 179.10535 140.3
[M]+ 158.13013 135.2
[M]- 158.13123 135.2
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.