CID 54299139

8-aminooctan-2-one hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

143.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.8
[M+Na]+ 166.12023 140.4
[M-H]- 142.12373 134.2
[M+NH4]+ 161.16483 155.9
[M+K]+ 182.09417 139.6
[M+H-H2O]+ 126.12827 129.7
[M+HCOO]- 188.12921 157.8
[M+CH3COO]- 202.14486 179.2
[M+Na-2H]- 164.10568 138.6
[M]+ 143.13046 135.1
[M]- 143.13156 135.1
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