CID 171118859

28-methyl-29-nonacosanolactone

Structural Information

Molecular Formula
C30H60O2
SMILES
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCC(OC1)O
InChI
InChI=1S/C30H60O2/c1-29-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-30(31)32-28-29/h29-31H,2-28H2,1H3
InChIKey
GOJZTBWNHGHMOT-UHFFFAOYSA-N
Compound name
29-methyl-oxacyclotriacontan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.45932 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.46660 213.9
[M+Na]+ 475.44854 204.3
[M-H]- 451.45204 213.7
[M+NH4]+ 470.49314 214.8
[M+K]+ 491.42248 202.6
[M+H-H2O]+ 435.45658 209.9
[M+HCOO]- 497.45752 214.1
[M+CH3COO]- 511.47317 213.4
[M+Na-2H]- 473.43399 203.6
[M]+ 452.45877 188.8
[M]- 452.45987 188.8
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.