CID 2774375

36765-84-1

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CN
InChI
InChI=1S/C8H8N2O3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5,9H2
InChIKey
NXCCDPOCDBAGFX-UHFFFAOYSA-N
Compound name
2-amino-1-(3-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

180.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 134.3
[M+Na]+ 203.042718 140.9
[M-H]- 179.046224 137.7
[M+NH4]+ 198.087323 152.7
[M+K]+ 219.016658 135.4
[M+H-H2O]+ 163.050760 132.8
[M+HCOO]- 225.051701 160.1
[M+CH3COO]- 239.067351 176.4
[M+Na-2H]- 201.028166 141.2
[M]+ 180.05295142 131.4
[M]- 180.05404858 131.4
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