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
5
Annotation Hits

274
References

48836
Patents

268.2766 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.28388 174.9
[M+Na]+ 291.26582 177.5
[M-H]- 267.26932 173.0
[M+NH4]+ 286.31042 191.7
[M+K]+ 307.23976 174.0
[M+H-H2O]+ 251.27386 168.3
[M+HCOO]- 313.27480 195.2
[M+CH3COO]- 327.29045 204.6
[M+Na-2H]- 289.25127 175.6
[M]+ 268.27605 181.6
[M]- 268.27715 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