CID 185893

Dotriacontanal

Structural Information

Molecular Formula
C32H64O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChI
InChI=1S/C32H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h32H,2-31H2,1H3
InChIKey
NNZVKPZICXRDJI-UHFFFAOYSA-N
Compound name
dotriacontanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

464.49573 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.50301 235.5
[M+Na]+ 487.48495 232.2
[M-H]- 463.48845 217.9
[M+NH4]+ 482.52955 234.5
[M+K]+ 503.45889 224.9
[M+H-H2O]+ 447.49299 226.1
[M+HCOO]- 509.49393 249.1
[M+CH3COO]- 523.50958 245.7
[M+Na-2H]- 485.47040 228.8
[M]+ 464.49518 247.4
[M]- 464.49628 247.4
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