CID 11369906

11z-eicosenal

Structural Information

Molecular Formula
C20H38O
SMILES
CCCCCCCC/C=C\CCCCCCCCCC=O
InChI
InChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h9-10,20H,2-8,11-19H2,1H3/b10-9-
InChIKey
WJLJKNYXWACGHC-KTKRTIGZSA-N
Compound name
(Z)-icos-11-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

294.29227 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.29955 182.3
[M+Na]+ 317.28149 184.4
[M-H]- 293.28499 180.1
[M+NH4]+ 312.32609 198.0
[M+K]+ 333.25543 179.8
[M+H-H2O]+ 277.28953 175.4
[M+HCOO]- 339.29047 202.2
[M+CH3COO]- 353.30612 209.1
[M+Na-2H]- 315.26694 182.0
[M]+ 294.29172 189.0
[M]- 294.29282 189.0
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