CID 165355080

Rel-4-[(2r,5s)-tetrahydro-5-propyl-2h-pyran-2-yl]phenol

Structural Information

Molecular Formula
C14H20O2
SMILES
CCC[C@@H]1CC[C@H](OC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C14H20O2/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(15)8-6-12/h5-8,11,14-15H,2-4,9-10H2,1H3/t11-,14+/m1/s1
InChIKey
PXDCFUUFIPTWQK-RISCZKNCSA-N
Compound name
4-[(2S,5R)-5-propyloxan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 151.2
[M+Na]+ 243.13555 156.2
[M-H]- 219.13905 156.5
[M+NH4]+ 238.18015 167.6
[M+K]+ 259.10949 154.2
[M+H-H2O]+ 203.14359 144.4
[M+HCOO]- 265.14453 169.3
[M+CH3COO]- 279.16018 186.8
[M+Na-2H]- 241.12100 155.3
[M]+ 220.14578 148.4
[M]- 220.14688 148.4
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.