CID 8175

Decanal

Structural Information

Molecular Formula
C10H20O
SMILES
CCCCCCCCCC=O
InChI
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChIKey
KSMVZQYAVGTKIV-UHFFFAOYSA-N
Compound name
decanal
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

308
References

58461
Patents

156.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 138.5
[M+Na]+ 179.14063 144.4
[M-H]- 155.14413 138.1
[M+NH4]+ 174.18523 159.8
[M+K]+ 195.11457 143.1
[M+H-H2O]+ 139.14867 133.5
[M+HCOO]- 201.14961 161.5
[M+CH3COO]- 215.16526 180.5
[M+Na-2H]- 177.12608 143.6
[M]+ 156.15086 142.1
[M]- 156.15196 142.1
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