CID 85321777

2-octyldodec-2-enal

Structural Information

Molecular Formula
C20H38O
SMILES
CCCCCCCCCC=C(CCCCCCCC)C=O
InChI
InChI=1S/C20H38O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKey
WLUZPPJJEOWTBI-UHFFFAOYSA-N
Compound name
2-octyldodec-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

294.29227 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.29955 183.3
[M+Na]+ 317.28149 185.2
[M-H]- 293.28499 181.1
[M+NH4]+ 312.32609 198.9
[M+K]+ 333.25543 181.0
[M+H-H2O]+ 277.28953 176.5
[M+HCOO]- 339.29047 202.1
[M+CH3COO]- 353.30612 209.8
[M+Na-2H]- 315.26694 181.7
[M]+ 294.29172 189.3
[M]- 294.29282 189.3
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

patents stripe