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]+ 247.071336 160.6
[M+Na]+ 269.053278 168.4
[M-H]- 245.056784 163.4
[M+NH4]+ 264.097883 175.0
[M+K]+ 285.027218 162.2
[M+H-H2O]+ 229.061320 151.6
[M+HCOO]- 291.062261 180.3
[M+CH3COO]- 305.077911 198.0
[M+Na-2H]- 267.038726 163.9
[M]+ 246.06351142 155.4
[M]- 246.06460858 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