CID 519708

3-ethyl-3-phenyl-1-pentene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

174.14085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.148126 140.5
[M+Na]+ 197.130068 147.1
[M-H]- 173.133574 143.8
[M+NH4]+ 192.174673 161.0
[M+K]+ 213.104008 144.1
[M+H-H2O]+ 157.138110 135.2
[M+HCOO]- 219.139051 162.5
[M+CH3COO]- 233.154701 183.1
[M+Na-2H]- 195.115516 147.4
[M]+ 174.14030142 140.8
[M]- 174.14139858 140.8
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