CID 10440

18-pentatriacontanone

Structural Information

Molecular Formula
C35H70O
SMILES
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey
DMCJFWXGXUEHFD-UHFFFAOYSA-N
Compound name
pentatriacontan-18-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6458
Patents

506.54266 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.54994 248.5
[M+Na]+ 529.53188 254.5
[M-H]- 505.53538 228.3
[M+NH4]+ 524.57648 246.1
[M+K]+ 545.50582 255.4
[M+H-H2O]+ 489.53992 239.8
[M+HCOO]- 551.54086 255.7
[M+CH3COO]- 565.55651 254.9
[M+Na-2H]- 527.51733 232.9
[M]+ 506.54211 249.5
[M]- 506.54321 249.5
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