CID 20727466

Refchem:525276

Structural Information

Molecular Formula
C18H20
SMILES
C/C=C/CCC1=CC=C(C=C1)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H20/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h3-4,7-14H,5-6H2,1-2H3/b4-3+
InChIKey
JELHTKZXMLTKAO-ONEGZZNKSA-N
Compound name
1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

236.1565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.163776 156.0
[M+Na]+ 259.145718 163.3
[M-H]- 235.149224 162.5
[M+NH4]+ 254.190323 174.1
[M+K]+ 275.119658 157.9
[M+H-H2O]+ 219.153760 148.7
[M+HCOO]- 281.154701 179.3
[M+CH3COO]- 295.170351 194.9
[M+Na-2H]- 257.131166 160.6
[M]+ 236.15595142 156.5
[M]- 236.15704858 156.5
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

patents stripe