CID 21712656

2-octyldodecanal

Structural Information

Molecular Formula
C20H40O
SMILES
CCCCCCCCCCC(CCCCCCCC)C=O
InChI
InChI=1S/C20H40O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h19-20H,3-18H2,1-2H3
InChIKey
KTABAZHDUBOMSI-UHFFFAOYSA-N
Compound name
2-octyldodecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

296.30792 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.315196 184.9
[M+Na]+ 319.297138 186.4
[M-H]- 295.300644 182.6
[M+NH4]+ 314.341743 200.4
[M+K]+ 335.271078 182.8
[M+H-H2O]+ 279.305180 177.9
[M+HCOO]- 341.306121 203.5
[M+CH3COO]- 355.321771 211.3
[M+Na-2H]- 317.282586 183.2
[M]+ 296.30737142 191.6
[M]- 296.30846858 191.6
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