CID 54551687

7-pentacosanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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