CID 10888

12-tricosanone

Structural Information

Molecular Formula
C23H46O
SMILES
CCCCCCCCCCCC(=O)CCCCCCCCCCC
InChI
InChI=1S/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
VARQGBHBYZTYLJ-UHFFFAOYSA-N
Compound name
tricosan-12-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4928
Patents

338.35486 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.36214 198.2
[M+Na]+ 361.34408 198.5
[M-H]- 337.34758 195.4
[M+NH4]+ 356.38868 212.1
[M+K]+ 377.31802 194.1
[M+H-H2O]+ 321.35212 190.7
[M+HCOO]- 383.35306 215.8
[M+CH3COO]- 397.36871 220.2
[M+Na-2H]- 359.32953 194.9
[M]+ 338.35431 206.1
[M]- 338.35541 206.1
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