CID 17697

Pentadecanal

Structural Information

Molecular Formula
C15H30O
SMILES
CCCCCCCCCCCCCCC=O
InChI
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
InChIKey
XGQJZNCFDLXSIJ-UHFFFAOYSA-N
Compound name
pentadecanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

5313
Patents

226.22966 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.23694 160.1
[M+Na]+ 249.21888 169.5
[M+NH4]+ 244.26348 167.2
[M+K]+ 265.19282 160.8
[M-H]- 225.22238 159.7
[M+Na-2H]- 247.20433 162.4
[M]+ 226.22911 161.2
[M]- 226.23021 161.2
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

patents stripe