CID 21103226

6-acetamidohexanamide

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(=O)NCCCCCC(=O)N
InChI
InChI=1S/C8H16N2O2/c1-7(11)10-6-4-2-3-5-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11)
InChIKey
DKTLRYBPEORJBF-UHFFFAOYSA-N
Compound name
6-acetamidohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

172.12119 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.4
[M+Na]+ 195.11041 147.1
[M+NH4]+ 190.15501 146.3
[M+K]+ 211.08435 143.2
[M-H]- 171.11391 139.2
[M+Na-2H]- 193.09586 141.9
[M]+ 172.12064 140.4
[M]- 172.12174 140.4
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

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