CID 25202394

8-aminooctan-4-one

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCC(=O)CCCCN
InChI
InChI=1S/C8H17NO/c1-2-5-8(10)6-3-4-7-9/h2-7,9H2,1H3
InChIKey
UYCHPUIDXXFEKR-UHFFFAOYSA-N
Compound name
8-aminooctan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

103
Patents

143.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.7
[M+Na]+ 166.12023 142.5
[M+NH4]+ 161.16483 141.1
[M+K]+ 182.09417 136.9
[M-H]- 142.12373 133.3
[M+Na-2H]- 164.10568 136.6
[M]+ 143.13046 134.5
[M]- 143.13156 134.5
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