CID 85148698

(6r*,8s*)-6,8-tetratriacontanediol

Structural Information

Molecular Formula
C34H70O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O
InChI
InChI=1S/C34H70O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-6-4-2/h33-36H,3-32H2,1-2H3
InChIKey
QRVPXJSEKKWYDP-UHFFFAOYSA-N
Compound name
tetratriacontane-6,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.53757 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.54485 248.1
[M+Na]+ 533.52679 251.7
[M-H]- 509.53029 229.1
[M+NH4]+ 528.57139 243.2
[M+K]+ 549.50073 253.2
[M+H-H2O]+ 493.53483 246.0
[M+HCOO]- 555.53577 249.3
[M+CH3COO]- 569.55142 249.9
[M+Na-2H]- 531.51224 231.1
[M]+ 510.53702 246.6
[M]- 510.53812 246.6
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.