CID 3020238

N-(2-hydroxyethyl)-2-nitrobenzamide

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C1=CC=C(C(=C1)C(=O)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c12-6-5-10-9(13)7-3-1-2-4-8(7)11(14)15/h1-4,12H,5-6H2,(H,10,13)
InChIKey
DDHRZXUHAFEJIO-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.06406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 141.6
[M+Na]+ 233.053278 147.2
[M-H]- 209.056784 143.9
[M+NH4]+ 228.097883 158.3
[M+K]+ 249.027218 141.5
[M+H-H2O]+ 193.061320 139.9
[M+HCOO]- 255.062261 166.4
[M+CH3COO]- 269.077911 178.9
[M+Na-2H]- 231.038726 148.7
[M]+ 210.06351142 139.4
[M]- 210.06460858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe