CID 101664408

Hentriacontane-6,8-diol

Structural Information

Molecular Formula
C31H64O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O
InChI
InChI=1S/C31H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(33)29-30(32)27-25-6-4-2/h30-33H,3-29H2,1-2H3
InChIKey
QNOXEINYPHZJBN-UHFFFAOYSA-N
Compound name
hentriacontane-6,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.49063 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.49791 238.4
[M+Na]+ 491.47985 241.7
[M-H]- 467.48335 219.8
[M+NH4]+ 486.52445 232.8
[M+K]+ 507.45379 227.2
[M+H-H2O]+ 451.48789 229.6
[M+HCOO]- 513.48883 240.0
[M+CH3COO]- 527.50448 241.4
[M+Na-2H]- 489.46530 228.7
[M]+ 468.49008 236.4
[M]- 468.49118 236.4
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.