CID 131750968

(3xi,6e)-1,7-diphenyl-6-hepten-3-ol

Structural Information

Molecular Formula
C19H22O
SMILES
C1=CC=C(C=C1)CCC(CC/C=C\C2=CC=CC=C2)O
InChI
InChI=1S/C19H22O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13,19-20H,8,14-16H2/b13-7-
InChIKey
DPRCKWANIKZGTF-QPEQYQDCSA-N
Compound name
(Z)-1,7-diphenylhept-6-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.16705 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17433 166.0
[M+Na]+ 289.15627 170.1
[M-H]- 265.15977 170.1
[M+NH4]+ 284.20087 181.2
[M+K]+ 305.13021 164.4
[M+H-H2O]+ 249.16431 158.1
[M+HCOO]- 311.16525 186.6
[M+CH3COO]- 325.18090 195.9
[M+Na-2H]- 287.14172 169.6
[M]+ 266.16650 164.9
[M]- 266.16760 164.9
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