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

139
Patents

286.28717 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.29445 180.7
[M+Na]+ 309.27639 182.7
[M-H]- 285.27989 178.8
[M+NH4]+ 304.32099 196.7
[M+K]+ 325.25033 180.7
[M+H-H2O]+ 269.28443 173.8
[M+HCOO]- 331.28537 200.0
[M+CH3COO]- 345.30102 208.0
[M+Na-2H]- 307.26184 180.0
[M]+ 286.28662 188.8
[M]- 286.28772 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.