CID 62490

2-(3-phenylpropyl)tetrahydrofuran

Structural Information

Molecular Formula
C13H18O
SMILES
C1CC(OC1)CCCC2=CC=CC=C2
InChI
InChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2
InChIKey
PBXKRPSGIACPQF-UHFFFAOYSA-N
Compound name
2-(3-phenylpropyl)oxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

132
Patents

190.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 143.6
[M+Na]+ 213.12499 148.6
[M-H]- 189.12849 149.9
[M+NH4]+ 208.16959 163.2
[M+K]+ 229.09893 147.1
[M+H-H2O]+ 173.13303 137.1
[M+HCOO]- 235.13397 165.5
[M+CH3COO]- 249.14962 181.7
[M+Na-2H]- 211.11044 148.5
[M]+ 190.13522 142.2
[M]- 190.13632 142.2
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

patents stripe