CID 56936120

7z,9z-heptadecadiene

Structural Information

Molecular Formula
C17H32
SMILES
CCCCCCC/C=C\C=C/CCCCCC
InChI
InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h13,15-17H,3-12,14H2,1-2H3/b15-13-,17-16-
InChIKey
KBAYEVBTHAEOEB-OWEHUKMGSA-N
Compound name
(7Z,9Z)-heptadeca-7,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

literature stripe

Patent stripe

patents stripe