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

12
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 160.6
[M+Na]+ 269.05328 168.4
[M-H]- 245.05678 163.4
[M+NH4]+ 264.09788 175.0
[M+K]+ 285.02722 162.2
[M+H-H2O]+ 229.06132 151.6
[M+HCOO]- 291.06226 180.3
[M+CH3COO]- 305.07791 198.0
[M+Na-2H]- 267.03873 163.9
[M]+ 246.06351 155.4
[M]- 246.06461 155.4
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