CID 5078073

1-(2-(benzyloxy)phenyl)-1-butanol

Structural Information

Molecular Formula
C17H20O2
SMILES
CCCC(C1=CC=CC=C1OCC2=CC=CC=C2)O
InChI
InChI=1S/C17H20O2/c1-2-8-16(18)15-11-6-7-12-17(15)19-13-14-9-4-3-5-10-14/h3-7,9-12,16,18H,2,8,13H2,1H3
InChIKey
YIKBWUJJIALZCM-UHFFFAOYSA-N
Compound name
1-(2-phenylmethoxyphenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 160.9
[M+Na]+ 279.13555 166.3
[M-H]- 255.13905 165.7
[M+NH4]+ 274.18015 176.8
[M+K]+ 295.10949 162.4
[M+H-H2O]+ 239.14359 153.2
[M+HCOO]- 301.14453 182.2
[M+CH3COO]- 315.16018 194.5
[M+Na-2H]- 277.12100 164.9
[M]+ 256.14578 161.7
[M]- 256.14688 161.7
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

patents stripe