CID 14100546

3z,6z-heneicosadiene

Structural Information

Molecular Formula
C21H40
SMILES
CCCCCCCCCCCCCC/C=C\C/C=C\CC
InChI
InChI=1S/C21H40/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5,7,11,13H,3-4,6,8-10,12,14-21H2,1-2H3/b7-5-,13-11-
InChIKey
YRHWKBHMAXDESB-DPTWWRMPSA-N
Compound name
(3Z,6Z)-henicosa-3,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.313 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.32028 183.7
[M+Na]+ 315.30222 185.5
[M-H]- 291.30572 181.3
[M+NH4]+ 310.34682 199.6
[M+K]+ 331.27616 180.2
[M+H-H2O]+ 275.31026 176.9
[M+HCOO]- 337.31120 203.0
[M+CH3COO]- 351.32685 209.6
[M+Na-2H]- 313.28767 182.9
[M]+ 292.31245 189.2
[M]- 292.31355 189.2
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