CID 53436598

Heneicosapentaene

Structural Information

Molecular Formula
C21H34
SMILES
CCCCCCCCCCCC=CC=CC=CC=CC=C
InChI
InChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17,19H,1,4,6,8,10,12,14,16,18,20-21H2,2H3
InChIKey
FPXCJLDGCPZYBW-UHFFFAOYSA-N
Compound name
henicosa-1,3,5,7,9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

286.26605 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.273326 178.7
[M+Na]+ 309.255268 181.5
[M-H]- 285.258774 176.5
[M+NH4]+ 304.299873 194.8
[M+K]+ 325.229208 174.4
[M+H-H2O]+ 269.263310 172.2
[M+HCOO]- 331.264251 198.6
[M+CH3COO]- 345.279901 205.7
[M+Na-2H]- 307.240716 178.1
[M]+ 286.26550142 181.9
[M]- 286.26659858 181.9
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