CID 3084839

Triacontyl acetate

Structural Information

Molecular Formula
C32H64O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32(2)33/h3-31H2,1-2H3
InChIKey
OVQVOKLGCDAZBX-UHFFFAOYSA-N
Compound name
triacontyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

480.49063 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.497906 240.3
[M+Na]+ 503.479848 246.3
[M-H]- 479.483354 222.0
[M+NH4]+ 498.524453 238.7
[M+K]+ 519.453788 230.6
[M+H-H2O]+ 463.487890 230.9
[M+HCOO]- 525.488831 248.8
[M+CH3COO]- 539.504481 247.3
[M+Na-2H]- 501.465296 232.4
[M]+ 480.49008142 241.4
[M]- 480.49117858 241.4
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

patents stripe