CID 85739786

8,10-pentatriacontanediol

Structural Information

Molecular Formula
C35H72O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCCCC)O)O
InChI
InChI=1S/C35H72O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-35(37)33-34(36)31-29-27-8-6-4-2/h34-37H,3-33H2,1-2H3
InChIKey
MFPJMDCXGYIZMF-UHFFFAOYSA-N
Compound name
pentatriacontane-8,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.5532 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.56048 251.6
[M+Na]+ 547.54242 255.0
[M-H]- 523.54592 232.2
[M+NH4]+ 542.58702 246.7
[M+K]+ 563.51636 256.9
[M+H-H2O]+ 507.55046 249.3
[M+HCOO]- 569.55140 252.4
[M+CH3COO]- 583.56705 252.7
[M+Na-2H]- 545.52787 234.1
[M]+ 524.55265 250.0
[M]- 524.55375 250.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.