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

268
Patents

236.1565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16378 156.0
[M+Na]+ 259.14572 163.3
[M-H]- 235.14922 162.5
[M+NH4]+ 254.19032 174.1
[M+K]+ 275.11966 157.9
[M+H-H2O]+ 219.15376 148.7
[M+HCOO]- 281.15470 179.3
[M+CH3COO]- 295.17035 194.9
[M+Na-2H]- 257.13117 160.6
[M]+ 236.15595 156.5
[M]- 236.15705 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