CID 547853

2-dotriacontanone

Structural Information

Molecular Formula
C32H64O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C32H64O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2)33/h3-31H2,1-2H3
InChIKey
ALOHRAXAYOIZFS-UHFFFAOYSA-N
Compound name
dotriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

464.49573 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.50301 237.1
[M+Na]+ 487.48495 233.6
[M-H]- 463.48845 218.8
[M+NH4]+ 482.52955 235.5
[M+K]+ 503.45889 226.8
[M+H-H2O]+ 447.49299 227.8
[M+HCOO]- 509.49393 246.2
[M+CH3COO]- 523.50958 246.3
[M+Na-2H]- 485.47040 229.1
[M]+ 464.49518 239.3
[M]- 464.49628 239.3
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