CID 2757316

3-(4-n-butylphenyl)-1-propene

Structural Information

Molecular Formula
C13H18
SMILES
CCCCC1=CC=C(C=C1)CC=C
InChI
InChI=1S/C13H18/c1-3-5-7-13-10-8-12(6-4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3
InChIKey
IJCHLLYFYYRFAP-UHFFFAOYSA-N
Compound name
1-butyl-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

174.14085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 139.9
[M+Na]+ 197.13007 146.9
[M-H]- 173.13357 143.2
[M+NH4]+ 192.17467 160.6
[M+K]+ 213.10401 143.5
[M+H-H2O]+ 157.13811 134.1
[M+HCOO]- 219.13905 163.4
[M+CH3COO]- 233.15470 183.9
[M+Na-2H]- 195.11552 145.5
[M]+ 174.14030 141.0
[M]- 174.14140 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe