CID 517892

(pent-4-en-1-yl)benzene

Structural Information

Molecular Formula
C11H14
SMILES
C=CCCCC1=CC=CC=C1
InChI
InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-7,9-10H,1,3,5,8H2
InChIKey
RURREWSZSUQSNB-UHFFFAOYSA-N
Compound name
pent-4-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

900
Patents

146.10954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11682 131.3
[M+Na]+ 169.09876 138.2
[M-H]- 145.10226 134.6
[M+NH4]+ 164.14336 152.8
[M+K]+ 185.07270 135.4
[M+H-H2O]+ 129.10680 125.7
[M+HCOO]- 191.10774 155.5
[M+CH3COO]- 205.12339 176.7
[M+Na-2H]- 167.08421 138.7
[M]+ 146.10899 131.3
[M]- 146.11009 131.3
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