CID 86172607

25-methyl-10-triacontanone

Structural Information

Molecular Formula
C31H62O
SMILES
CCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC
InChI
InChI=1S/C31H62O/c1-4-6-8-9-16-20-24-28-31(32)29-25-21-18-15-13-11-10-12-14-17-19-23-27-30(3)26-22-7-5-2/h30H,4-29H2,1-3H3
InChIKey
BRSOYKIAEJTKCP-UHFFFAOYSA-N
Compound name
25-methyltriacontan-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.48007 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.48735 234.1
[M+Na]+ 473.46929 230.8
[M-H]- 449.47279 216.5
[M+NH4]+ 468.51389 232.9
[M+K]+ 489.44323 224.7
[M+H-H2O]+ 433.47733 225.1
[M+HCOO]- 495.47827 240.0
[M+CH3COO]- 509.49392 244.1
[M+Na-2H]- 471.45474 225.3
[M]+ 450.47952 244.2
[M]- 450.48062 244.2
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

No patent data available for this compound.