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

7
Patents

206.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 147.3
[M+Na]+ 229.11990 160.3
[M+NH4]+ 224.16450 156.8
[M+K]+ 245.09384 152.6
[M-H]- 205.12340 153.3
[M+Na-2H]- 227.10535 155.3
[M]+ 206.13013 150.9
[M]- 206.13123 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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