CID 75034

13-pentacosanone

Structural Information

Molecular Formula
C25H50O
SMILES
CCCCCCCCCCCCC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C25H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25(26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
VTPOKROHHTWTML-UHFFFAOYSA-N
Compound name
pentacosan-13-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

585
Patents

366.38617 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.39345 207.0
[M+Na]+ 389.37539 206.4
[M-H]- 365.37889 203.7
[M+NH4]+ 384.41999 219.7
[M+K]+ 405.34933 201.5
[M+H-H2O]+ 349.38343 199.1
[M+HCOO]- 411.38437 223.9
[M+CH3COO]- 425.40002 226.1
[M+Na-2H]- 387.36084 202.7
[M]+ 366.38562 215.7
[M]- 366.38672 215.7
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