CID 113259

63467-28-7

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CCOC(=O)CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C
InChI
InChI=1S/C12H15N3O4/c1-3-19-12(16)8-9(2)13-14-10-4-6-11(7-5-10)15(17)18/h4-7,14H,3,8H2,1-2H3
InChIKey
DNYHQQPGIDWVRQ-UHFFFAOYSA-N
Compound name
ethyl 3-[(4-nitrophenyl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

265.10626 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 158.2
[M+Na]+ 288.09548 167.9
[M+NH4]+ 283.14008 164.0
[M+K]+ 304.06942 165.8
[M-H]- 264.09898 161.0
[M+Na-2H]- 286.08093 162.8
[M]+ 265.10571 159.8
[M]- 265.10681 159.8
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

No patent data available for this compound.