CID 31289

Nonanal

Structural Information

Molecular Formula
C9H18O
SMILES
CCCCCCCCC=O
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
InChIKey
GYHFUZHODSMOHU-UHFFFAOYSA-N
Compound name
nonanal
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

486
References

61698
Patents

142.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 133.9
[M+Na]+ 165.12499 140.2
[M-H]- 141.12849 133.7
[M+NH4]+ 160.16959 155.7
[M+K]+ 181.09893 139.2
[M+H-H2O]+ 125.13303 129.1
[M+HCOO]- 187.13397 157.2
[M+CH3COO]- 201.14962 177.5
[M+Na-2H]- 163.11044 139.5
[M]+ 142.13522 137.1
[M]- 142.13632 137.1
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