CID 5355181

5470-58-6

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CCOC(=O)/C(=C\C1=CC=CC=C1[N+](=O)[O-])/C#N
InChI
InChI=1S/C12H10N2O4/c1-2-18-12(15)10(8-13)7-9-5-3-4-6-11(9)14(16)17/h3-7H,2H2,1H3/b10-7-
InChIKey
CZPQZBRWWGSHSL-YFHOEESVSA-N
Compound name
ethyl (Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

246.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 154.3
[M+Na]+ 269.05328 165.1
[M+NH4]+ 264.09788 157.1
[M+K]+ 285.02722 159.4
[M-H]- 245.05678 148.6
[M+Na-2H]- 267.03873 156.2
[M]+ 246.06351 153.0
[M]- 246.06461 153.0
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