CID 12533

Octadecanal

Structural Information

Molecular Formula
C18H36O
SMILES
CCCCCCCCCCCCCCCCCC=O
InChI
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
InChIKey
FWWQKRXKHIRPJY-UHFFFAOYSA-N
Compound name
octadecanal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

274
References

48974
Patents

268.2766 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.283876 174.9
[M+Na]+ 291.265818 177.5
[M-H]- 267.269324 173.0
[M+NH4]+ 286.310423 191.7
[M+K]+ 307.239758 174.0
[M+H-H2O]+ 251.273860 168.3
[M+HCOO]- 313.274801 195.2
[M+CH3COO]- 327.290451 204.6
[M+Na-2H]- 289.251266 175.6
[M]+ 268.27605142 181.6
[M]- 268.27714858 181.6
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