CID 106157

Dtxsid90867407

Structural Information

Molecular Formula
C36H72O2
SMILES
CC(C)CCCCCCCCCCOC(CC(C)CCC=C(C)C)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C36H72O2/c1-32(2)25-20-16-12-8-10-14-18-22-29-37-36(31-35(7)28-24-27-34(5)6)38-30-23-19-15-11-9-13-17-21-26-33(3)4/h27,32-33,35-36H,8-26,28-31H2,1-7H3
InChIKey
IOROHSYUWTZOFC-UHFFFAOYSA-N
Compound name
1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyldodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

536.5532 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.56048 251.0
[M+Na]+ 559.54242 258.5
[M-H]- 535.54592 237.6
[M+NH4]+ 554.58702 255.9
[M+K]+ 575.51636 261.8
[M+H-H2O]+ 519.55046 253.0
[M+HCOO]- 581.55140 248.9
[M+CH3COO]- 595.56705 261.3
[M+Na-2H]- 557.52787 237.4
[M]+ 536.55265 252.2
[M]- 536.55375 252.2
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