CID 178134

Aloracetam

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC1=CC(=C(N1CCNC(=O)C)C)C=O
InChI
InChI=1S/C11H16N2O2/c1-8-6-11(7-14)9(2)13(8)5-4-12-10(3)15/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKey
ZUQSGZULKDDMEW-UHFFFAOYSA-N
Compound name
N-[2-(3-formyl-2,5-dimethylpyrrol-1-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

208.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 148.4
[M+Na]+ 231.11041 158.3
[M+NH4]+ 226.15501 154.8
[M+K]+ 247.08435 154.9
[M-H]- 207.11391 148.5
[M+Na-2H]- 229.09586 151.7
[M]+ 208.12064 149.5
[M]- 208.12174 149.5
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