CID 77844214

1469882-62-9

Structural Information

Molecular Formula
C17H20O2
SMILES
CC(C)C1=C(C=C(C=C1O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C17H20O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-7,10-12,18-19H,8-9H2,1-2H3
InChIKey
WLGRPNBWEGDXRZ-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)-2-propan-2-ylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

256.14633 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 160.3
[M+Na]+ 279.13555 167.2
[M-H]- 255.13905 164.6
[M+NH4]+ 274.18015 176.2
[M+K]+ 295.10949 162.6
[M+H-H2O]+ 239.14359 153.5
[M+HCOO]- 301.14453 180.1
[M+CH3COO]- 315.16018 194.3
[M+Na-2H]- 277.12100 162.5
[M]+ 256.14578 160.2
[M]- 256.14688 160.2
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