CID 34710

29839-53-0

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]+ 159.137956 135.2
[M+Na]+ 181.119898 141.8
[M-H]- 157.123404 137.8
[M+NH4]+ 176.164503 158.1
[M+K]+ 197.093838 141.7
[M+H-H2O]+ 141.127940 131.4
[M+HCOO]- 203.128881 155.5
[M+CH3COO]- 217.144531 174.2
[M+Na-2H]- 179.105346 140.3
[M]+ 158.13013142 135.2
[M]- 158.13122858 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.