CID 3024285

2,3,5-trimethyl-4-phenyltetrahydrofuran

Structural Information

Molecular Formula
C13H18O
SMILES
CC1C(OC(C1C2=CC=CC=C2)C)C
InChI
InChI=1S/C13H18O/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3
InChIKey
AHURUFWASMODST-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-4-phenyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 142.1
[M+Na]+ 213.124988 150.1
[M-H]- 189.128494 149.8
[M+NH4]+ 208.169593 162.9
[M+K]+ 229.098928 148.5
[M+H-H2O]+ 173.133030 136.6
[M+HCOO]- 235.133971 164.2
[M+CH3COO]- 249.149621 185.0
[M+Na-2H]- 211.110436 145.2
[M]+ 190.13522142 142.1
[M]- 190.13631858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.