CID 102717

Tetrahydro-2-(2-phenylethoxy)-2h-pyran

Structural Information

Molecular Formula
C13H18O2
SMILES
C1CCOC(C1)OCCC2=CC=CC=C2
InChI
InChI=1S/C13H18O2/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h1-3,6-7,13H,4-5,8-11H2
InChIKey
YTSCAWRTSJUGJL-UHFFFAOYSA-N
Compound name
2-(2-phenylethoxy)oxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

206.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 146.3
[M+Na]+ 229.119898 150.3
[M-H]- 205.123404 152.3
[M+NH4]+ 224.164503 163.3
[M+K]+ 245.093838 149.4
[M+H-H2O]+ 189.127940 138.9
[M+HCOO]- 251.128881 166.3
[M+CH3COO]- 265.144531 184.1
[M+Na-2H]- 227.105346 152.8
[M]+ 206.13013142 144.2
[M]- 206.13122858 144.2
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