CID 2171852

Methyl alpha-cyano-4-nitrocinnamate

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]+ 233.05568 156.4
[M+Na]+ 255.03762 164.6
[M-H]- 231.04112 159.4
[M+NH4]+ 250.08222 171.3
[M+K]+ 271.01156 158.6
[M+H-H2O]+ 215.04566 147.6
[M+HCOO]- 277.04660 176.4
[M+CH3COO]- 291.06225 195.3
[M+Na-2H]- 253.02307 160.1
[M]+ 232.04785 150.8
[M]- 232.04895 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.