CID 5370618

Trans-1-phenyl-1-pentene

Structural Information

Molecular Formula
C11H14
SMILES
CCC/C=C/C1=CC=CC=C1
InChI
InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H,2-3H2,1H3/b8-5+
InChIKey
KHMYONNPZWOTKW-VMPITWQZSA-N
Compound name
[(E)-pent-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

648
Patents

146.10954 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11682 131.5
[M+Na]+ 169.09876 138.5
[M-H]- 145.10226 134.8
[M+NH4]+ 164.14336 153.1
[M+K]+ 185.07270 135.7
[M+H-H2O]+ 129.10680 126.0
[M+HCOO]- 191.10774 155.7
[M+CH3COO]- 205.12339 176.1
[M+Na-2H]- 167.08421 138.9
[M]+ 146.10899 131.4
[M]- 146.11009 131.4
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