CID 5372025

Einecs 269-599-6

Structural Information

Molecular Formula
C18H20O2
SMILES
C/C(=C/C(C)(C)C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
InChI
InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-12,19-20H,1-3H3/b13-12-
InChIKey
GGWYYLOIWHKAJM-SEYXRHQNSA-N
Compound name
4-[(Z)-4-(4-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

268.14633 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 163.8
[M+Na]+ 291.135548 170.1
[M-H]- 267.139054 167.9
[M+NH4]+ 286.180153 179.0
[M+K]+ 307.109488 165.1
[M+H-H2O]+ 251.143590 157.3
[M+HCOO]- 313.144531 181.9
[M+CH3COO]- 327.160181 195.1
[M+Na-2H]- 289.120996 166.9
[M]+ 268.14578142 162.3
[M]- 268.14687858 162.3
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