CID 14423503

Dtxsid001240835

Structural Information

Molecular Formula
C12H11NO4
SMILES
C1CC(=O)OC(=O)C1NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO4/c14-10-7-6-9(12(16)17-10)13-11(15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)
InChIKey
MYBJHWJWVVIFAO-UHFFFAOYSA-N
Compound name
N-(2,6-dioxooxan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 148.4
[M+Na]+ 256.05802 154.3
[M-H]- 232.06152 155.6
[M+NH4]+ 251.10262 164.1
[M+K]+ 272.03196 153.4
[M+H-H2O]+ 216.06606 141.1
[M+HCOO]- 278.06700 169.7
[M+CH3COO]- 292.08265 190.5
[M+Na-2H]- 254.04347 153.4
[M]+ 233.06825 146.2
[M]- 233.06935 146.2
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