CID 56936187

5,7-heptadecadiene

Structural Information

Molecular Formula
C17H32
SMILES
CCCCCCCCC/C=C/C=C/CCCC
InChI
InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12,14,16-17H2,1-2H3/b11-9+,15-13+
InChIKey
JFNJFQUWHNHHCC-PXELCPQFSA-N
Compound name
(5E,7E)-heptadeca-5,7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.2504 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.25768 165.8
[M+Na]+ 259.23962 169.3
[M-H]- 235.24312 164.3
[M+NH4]+ 254.28422 184.1
[M+K]+ 275.21356 165.1
[M+H-H2O]+ 219.24766 159.8
[M+HCOO]- 281.24860 186.5
[M+CH3COO]- 295.26425 197.6
[M+Na-2H]- 257.22507 167.2
[M]+ 236.24985 169.8
[M]- 236.25095 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.