CID 5282596

Hexatriacontanoic acid

Structural Information

Molecular Formula
C36H72O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C36H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h2-35H2,1H3,(H,37,38)
InChIKey
LRKATBAZQAWAGV-UHFFFAOYSA-N
Compound name
hexatriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1945
Patents

536.5532 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.56048 253.2
[M+Na]+ 559.54242 257.4
[M-H]- 535.54592 232.9
[M+NH4]+ 554.58702 249.2
[M+K]+ 575.51636 258.8
[M+H-H2O]+ 519.55046 251.4
[M+HCOO]- 581.55140 258.4
[M+CH3COO]- 595.56705 256.7
[M+Na-2H]- 557.52787 235.9
[M]+ 536.55265 252.6
[M]- 536.55375 252.6
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.