CID 20727450

4-(3-buten-1-yl)-4'-methylbiphenyl

Structural Information

Molecular Formula
C17H18
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)CCC=C
InChI
InChI=1S/C17H18/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h3,6-13H,1,4-5H2,2H3
InChIKey
XOSOYQOUJQMUEH-UHFFFAOYSA-N
Compound name
1-but-3-enyl-4-(4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

222.14085 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14813 151.1
[M+Na]+ 245.13007 158.7
[M-H]- 221.13357 157.7
[M+NH4]+ 240.17467 169.7
[M+K]+ 261.10401 153.6
[M+H-H2O]+ 205.13811 143.9
[M+HCOO]- 267.13905 174.8
[M+CH3COO]- 281.15470 192.6
[M+Na-2H]- 243.11552 156.3
[M]+ 222.14030 151.3
[M]- 222.14140 151.3
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