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]+ 221.153606 151.2
[M+Na]+ 243.135548 156.2
[M-H]- 219.139054 156.5
[M+NH4]+ 238.180153 167.6
[M+K]+ 259.109488 154.2
[M+H-H2O]+ 203.143590 144.4
[M+HCOO]- 265.144531 169.3
[M+CH3COO]- 279.160181 186.8
[M+Na-2H]- 241.120996 155.3
[M]+ 220.14578142 148.4
[M]- 220.14687858 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.