CID 73461452

Dtxsid8049757

Structural Information

Molecular Formula
C15H18
SMILES
CC=CC=CC=CC=CC=CC=CC=C
InChI
InChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H,1H2,2H3
InChIKey
CETJIWVTDUCJAH-UHFFFAOYSA-N
Compound name
pentadeca-1,3,5,7,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

198.14085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 148.6
[M+Na]+ 221.130068 154.7
[M-H]- 197.133574 147.9
[M+NH4]+ 216.174673 168.3
[M+K]+ 237.104008 148.1
[M+H-H2O]+ 181.138110 143.7
[M+HCOO]- 243.139051 171.0
[M+CH3COO]- 257.154701 184.4
[M+Na-2H]- 219.115516 151.4
[M]+ 198.14030142 148.1
[M]- 198.14139858 148.1
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