CID 3016864

N-heptadecadiene

Structural Information

Molecular Formula
C17H32
SMILES
CCCCCCCCCCCCCC=CC=C
InChI
InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-17H2,2H3
InChIKey
PEUHBSAKNWEJHZ-UHFFFAOYSA-N
Compound name
heptadeca-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

995
Patents

236.2504 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.25768 165.6
[M+Na]+ 259.23962 169.0
[M-H]- 235.24312 164.0
[M+NH4]+ 254.28422 183.7
[M+K]+ 275.21356 164.8
[M+H-H2O]+ 219.24766 159.6
[M+HCOO]- 281.24860 186.2
[M+CH3COO]- 295.26425 198.3
[M+Na-2H]- 257.22507 167.0
[M]+ 236.24985 169.7
[M]- 236.25095 169.7
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