CID 57321203

1,36-hexatriacontanediol

Structural Information

Molecular Formula
C36H74O2
SMILES
C(CCCCCCCCCCCCCCCCCCO)CCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C36H74O2/c37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h37-38H,1-36H2
InChIKey
NDQLVWYLCNPWCE-UHFFFAOYSA-N
Compound name
hexatriacontane-1,36-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

538.5689 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.57618 256.6
[M+Na]+ 561.55812 258.8
[M-H]- 537.56162 233.7
[M+NH4]+ 556.60272 248.4
[M+K]+ 577.53206 260.0
[M+H-H2O]+ 521.56616 253.0
[M+HCOO]- 583.56710 261.6
[M+CH3COO]- 597.58275 254.2
[M+Na-2H]- 559.54357 237.3
[M]+ 538.56835 254.7
[M]- 538.56945 254.7
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

patents stripe