CID 117936

Isodecane, [methylidynetris(oxy)]tris-

Structural Information

Molecular Formula
C31H64O3
SMILES
CC(C)CCCCCCCOC(OCCCCCCCC(C)C)OCCCCCCCC(C)C
InChI
InChI=1S/C31H64O3/c1-28(2)22-16-10-7-13-19-25-32-31(33-26-20-14-8-11-17-23-29(3)4)34-27-21-15-9-12-18-24-30(5)6/h28-31H,7-27H2,1-6H3
InChIKey
REGOXHBDMWJBSB-UHFFFAOYSA-N
Compound name
1-[bis(8-methylnonoxy)methoxy]-8-methylnonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

484.48553 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.49281 239.1
[M+Na]+ 507.47475 245.8
[M-H]- 483.47825 225.9
[M+NH4]+ 502.51935 242.9
[M+K]+ 523.44869 246.9
[M+H-H2O]+ 467.48279 241.2
[M+HCOO]- 529.48373 240.4
[M+CH3COO]- 543.49938 249.6
[M+Na-2H]- 505.46020 226.1
[M]+ 484.48498 240.7
[M]- 484.48608 240.7
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