CID 2171852

Refchem:817618

Structural Information

Molecular Formula
C11H8N2O4
SMILES
COC(=O)/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/C#N
InChI
InChI=1S/C11H8N2O4/c1-17-11(14)9(7-12)6-8-2-4-10(5-3-8)13(15)16/h2-6H,1H3/b9-6-
InChIKey
ASMATNCOGPXLKV-TWGQIWQCSA-N
Compound name
methyl (Z)-2-cyano-3-(4-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.055676 156.4
[M+Na]+ 255.037618 164.6
[M-H]- 231.041124 159.4
[M+NH4]+ 250.082223 171.3
[M+K]+ 271.011558 158.6
[M+H-H2O]+ 215.045660 147.6
[M+HCOO]- 277.046601 176.4
[M+CH3COO]- 291.062251 195.3
[M+Na-2H]- 253.023066 160.1
[M]+ 232.04785142 150.8
[M]- 232.04894858 150.8
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

No patent data available for this compound.