CID 12538121

5-oxooctanal

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCC(=O)CCCC=O
InChI
InChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h7H,2-6H2,1H3
InChIKey
NKKMPIXWEPUSCG-UHFFFAOYSA-N
Compound name
5-oxooctanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

350
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.8
[M+Na]+ 165.08860 141.8
[M+NH4]+ 160.13320 139.1
[M+K]+ 181.06254 136.1
[M-H]- 141.09210 130.7
[M+Na-2H]- 163.07405 135.0
[M]+ 142.09883 132.7
[M]- 142.09993 132.7
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