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

53
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 140.8
[M+Na]+ 195.11041 145.6
[M-H]- 171.11391 140.2
[M+NH4]+ 190.15501 160.1
[M+K]+ 211.08435 145.1
[M+H-H2O]+ 155.11845 134.9
[M+HCOO]- 217.11939 164.2
[M+CH3COO]- 231.13504 185.5
[M+Na-2H]- 193.09586 143.5
[M]+ 172.12064 140.2
[M]- 172.12174 140.2
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