CID 172000

Isooctanal diisotridecylacetal

Structural Information

Molecular Formula
C34H70O2
SMILES
CCCCCCC(C)(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H70O2/c1-7-8-9-24-29-34(6,35-30-25-20-16-12-10-14-18-22-27-32(2)3)36-31-26-21-17-13-11-15-19-23-28-33(4)5/h32-33H,7-31H2,1-6H3
InChIKey
VZIHSPBCPJODIV-UHFFFAOYSA-N
Compound name
11-methyl-1-[2-(11-methyldodecoxy)octan-2-yloxy]dodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

510.53757 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.54485 244.5
[M+Na]+ 533.52679 245.3
[M+NH4]+ 528.57139 244.7
[M+K]+ 549.50073 242.9
[M-H]- 509.53029 226.8
[M+Na-2H]- 531.51224 243.4
[M]+ 510.53702 239.6
[M]- 510.53812 239.6
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

No patent data available for this compound.