CID 107365

1-(2-benzylphenoxy)propan-2-ol

Structural Information

Molecular Formula
C16H18O2
SMILES
CC(COC1=CC=CC=C1CC2=CC=CC=C2)O
InChI
InChI=1S/C16H18O2/c1-13(17)12-18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKey
LHJUTIWDMKWNPR-UHFFFAOYSA-N
Compound name
1-(2-benzylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

242.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.137956 156.2
[M+Na]+ 265.119898 162.1
[M-H]- 241.123404 161.2
[M+NH4]+ 260.164503 172.7
[M+K]+ 281.093838 158.4
[M+H-H2O]+ 225.127940 148.8
[M+HCOO]- 287.128881 177.9
[M+CH3COO]- 301.144531 191.5
[M+Na-2H]- 263.105346 160.8
[M]+ 242.13013142 156.7
[M]- 242.13122858 156.7
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