CID 5357576

Ethyl (2e)-2-[(3-nitrophenyl)hydrazinylidene]propanoate

Structural Information

Molecular Formula
C11H13N3O4
SMILES
CCOC(=O)/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C
InChI
InChI=1S/C11H13N3O4/c1-3-18-11(15)8(2)12-13-9-5-4-6-10(7-9)14(16)17/h4-7,13H,3H2,1-2H3/b12-8+
InChIKey
SXBCOJHYBVQZQX-XYOKQWHBSA-N
Compound name
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

251.0906 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 153.3
[M+Na]+ 274.07982 158.1
[M-H]- 250.08332 158.1
[M+NH4]+ 269.12442 169.3
[M+K]+ 290.05376 153.6
[M+H-H2O]+ 234.08786 150.4
[M+HCOO]- 296.08880 180.7
[M+CH3COO]- 310.10445 194.4
[M+Na-2H]- 272.06527 159.6
[M]+ 251.09005 153.3
[M]- 251.09115 153.3
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