CID 172904

P-(1-octenyl)anisole

Structural Information

Molecular Formula
C15H22O
SMILES
CCCCCCC=CC1=CC=C(C=C1)OC
InChI
InChI=1S/C15H22O/c1-3-4-5-6-7-8-9-14-10-12-15(16-2)13-11-14/h8-13H,3-7H2,1-2H3
InChIKey
BGPUSBQKFGABPH-UHFFFAOYSA-N
Compound name
1-methoxy-4-oct-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

218.16707 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.1
[M+Na]+ 241.15629 159.3
[M-H]- 217.15979 156.0
[M+NH4]+ 236.20089 172.0
[M+K]+ 257.13023 155.9
[M+H-H2O]+ 201.16433 146.6
[M+HCOO]- 263.16527 176.1
[M+CH3COO]- 277.18092 191.2
[M+Na-2H]- 239.14174 157.4
[M]+ 218.16652 156.3
[M]- 218.16762 156.3
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