CID 110471

Octanal dioctyl acetal

Structural Information

Molecular Formula
C24H50O2
SMILES
CCCCCCCCOC(CCCCCCC)OCCCCCCCC
InChI
InChI=1S/C24H50O2/c1-4-7-10-13-16-19-22-25-24(21-18-15-12-9-6-3)26-23-20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKey
MOYIXNPVAUEVMW-UHFFFAOYSA-N
Compound name
1,1-dioctoxyoctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

370.38107 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.38835 207.5
[M+Na]+ 393.37029 206.9
[M-H]- 369.37379 204.3
[M+NH4]+ 388.41489 220.0
[M+K]+ 409.34423 203.4
[M+H-H2O]+ 353.37833 199.4
[M+HCOO]- 415.37927 224.7
[M+CH3COO]- 429.39492 225.7
[M+Na-2H]- 391.35574 203.6
[M]+ 370.38052 217.9
[M]- 370.38162 217.9
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