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]+ 266.113536 158.2
[M+Na]+ 288.095478 162.5
[M-H]- 264.098984 162.8
[M+NH4]+ 283.140083 173.6
[M+K]+ 304.069418 157.8
[M+H-H2O]+ 248.103520 155.0
[M+HCOO]- 310.104461 185.1
[M+CH3COO]- 324.120111 197.5
[M+Na-2H]- 286.080926 163.8
[M]+ 265.10571142 158.5
[M]- 265.10680858 158.5
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.