CID 3064819

Brn 5619506

Structural Information

Molecular Formula
C25H28O2
SMILES
C1CC(C=C1)C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C4CCC=C4
InChI
InChI=1S/C25H28O2/c1-2-7-20(6-1)22-10-14-24(15-11-22)26-18-5-19-27-25-16-12-23(13-17-25)21-8-3-4-9-21/h1,3,6,8,10-17,20-21H,2,4-5,7,9,18-19H2
InChIKey
NFQMUVJIERVQDH-UHFFFAOYSA-N
Compound name
1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.20892 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21620 189.7
[M+Na]+ 383.19814 193.4
[M-H]- 359.20164 201.5
[M+NH4]+ 378.24274 204.8
[M+K]+ 399.17208 187.9
[M+H-H2O]+ 343.20618 180.4
[M+HCOO]- 405.20712 212.0
[M+CH3COO]- 419.22277 199.7
[M+Na-2H]- 381.18359 187.3
[M]+ 360.20837 189.5
[M]- 360.20947 189.5
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

No patent data available for this compound.