CID 71552

Heptadecanal

Structural Information

Molecular Formula
C17H34O
SMILES
CCCCCCCCCCCCCCCCC=O
InChI
InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
InChIKey
PIYDVAYKYBWPPY-UHFFFAOYSA-N
Compound name
heptadecanal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

3989
Patents

254.26097 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.26825 170.4
[M+Na]+ 277.25019 173.4
[M-H]- 253.25369 168.7
[M+NH4]+ 272.29479 187.8
[M+K]+ 293.22413 170.2
[M+H-H2O]+ 237.25823 164.0
[M+HCOO]- 299.25917 191.1
[M+CH3COO]- 313.27482 201.7
[M+Na-2H]- 275.23564 171.7
[M]+ 254.26042 176.7
[M]- 254.26152 176.7
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