CID 247358

1-oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1CC2=C3C(=C(C(=O)C3=CC=C2)C(=O)N)C1
InChI
InChI=1S/C13H11NO2/c14-13(16)11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15/h2,4,6H,1,3,5H2,(H2,14,16)
InChIKey
SFRLORUXHRMRMQ-UHFFFAOYSA-N
Compound name
2-oxo-7,8-dihydro-6H-acenaphthylene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

213.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 144.6
[M+Na]+ 236.068198 152.9
[M-H]- 212.071704 149.1
[M+NH4]+ 231.112803 167.0
[M+K]+ 252.042138 149.1
[M+H-H2O]+ 196.076240 139.2
[M+HCOO]- 258.077181 165.6
[M+CH3COO]- 272.092831 191.3
[M+Na-2H]- 234.053646 149.0
[M]+ 213.07843142 143.5
[M]- 213.07952858 143.5
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