CID 5312349

2,4,6,8-tetramethyl-tetratriacontanoic acid

Structural Information

Molecular Formula
C38H76O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)O
InChI
InChI=1S/C38H76O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(2)31-35(3)32-36(4)33-37(5)38(39)40/h34-37H,6-33H2,1-5H3,(H,39,40)
InChIKey
CROAPHWLZZGVPY-UHFFFAOYSA-N
Compound name
2,4,6,8-tetramethyltetratriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.58453 Da
Monoisotopic Mass

18.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.59181 256.3
[M+Na]+ 587.57375 262.4
[M-H]- 563.57725 241.7
[M+NH4]+ 582.61835 258.8
[M+K]+ 603.54769 266.7
[M+H-H2O]+ 547.58179 256.9
[M+HCOO]- 609.58273 251.6
[M+CH3COO]- 623.59838 265.0
[M+Na-2H]- 585.55920 241.1
[M]+ 564.58398 256.1
[M]- 564.58508 256.1
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.