CID 14409592

(all-e)-1,7,9-heptadecatriene-11,13,15-triyne

Structural Information

Molecular Formula
C17H18
SMILES
CC#CC#CC#C/C=C/C=C/CCCCC=C
InChI
InChI=1S/C17H18/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15-17H,1,5,7,9,11H2,2H3/b15-13+,17-16+
InChIKey
LEQCZKIMKYGCIQ-TZSXFDEBSA-N
Compound name
(7E,9E)-heptadeca-1,7,9-trien-11,13,15-triyne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.14085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14813 168.7
[M+Na]+ 245.13007 176.4
[M-H]- 221.13357 171.4
[M+NH4]+ 240.17467 176.5
[M+K]+ 261.10401 171.4
[M+H-H2O]+ 205.13811 157.1
[M+HCOO]- 267.13905 171.8
[M+CH3COO]- 281.15470 231.3
[M+Na-2H]- 243.11552 166.6
[M]+ 222.14030 161.5
[M]- 222.14140 161.5
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

No patent data available for this compound.