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]+ 297.31520 184.9
[M+Na]+ 319.29714 186.4
[M-H]- 295.30064 182.6
[M+NH4]+ 314.34174 200.4
[M+K]+ 335.27108 182.8
[M+H-H2O]+ 279.30518 177.9
[M+HCOO]- 341.30612 203.5
[M+CH3COO]- 355.32177 211.3
[M+Na-2H]- 317.28259 183.2
[M]+ 296.30737 191.6
[M]- 296.30847 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