CID 118530

Hexanal dihexyl acetal

Structural Information

Molecular Formula
C18H38O2
SMILES
CCCCCCOC(CCCCC)OCCCCCC
InChI
InChI=1S/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3
InChIKey
JAMIQGJXDPTFJL-UHFFFAOYSA-N
Compound name
1,1-dihexoxyhexane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

143
Patents

286.28717 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.294446 180.7
[M+Na]+ 309.276388 182.7
[M-H]- 285.279894 178.8
[M+NH4]+ 304.320993 196.7
[M+K]+ 325.250328 180.7
[M+H-H2O]+ 269.284430 173.8
[M+HCOO]- 331.285371 200.0
[M+CH3COO]- 345.301021 208.0
[M+Na-2H]- 307.261836 180.0
[M]+ 286.28662142 188.8
[M]- 286.28771858 188.8
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