CID 23054403

1-(6-aminohexyl)-2,5-dihydro-1h-pyrrole-2,5-dione hydrochloride

Structural Information

Molecular Formula
C10H16N2O2
SMILES
C1=CC(=O)N(C1=O)CCCCCCN
InChI
InChI=1S/C10H16N2O2/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14/h5-6H,1-4,7-8,11H2
InChIKey
HNWOYAYJUYWRGD-UHFFFAOYSA-N
Compound name
1-(6-aminohexyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

196.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 144.0
[M+Na]+ 219.11041 151.3
[M-H]- 195.11391 145.5
[M+NH4]+ 214.15501 163.5
[M+K]+ 235.08435 148.8
[M+H-H2O]+ 179.11845 137.3
[M+HCOO]- 241.11939 167.4
[M+CH3COO]- 255.13504 186.2
[M+Na-2H]- 217.09586 146.3
[M]+ 196.12064 144.5
[M]- 196.12174 144.5
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

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