CID 5354248

Ethyl 3-nitrocinnamate

Structural Information

Molecular Formula
C11H11NO4
SMILES
CCOC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H11NO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8H,2H2,1H3/b7-6+
InChIKey
QZEPRSLOWNHADS-VOTSOKGWSA-N
Compound name
ethyl (E)-3-(3-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

221.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 147.4
[M+Na]+ 244.05802 154.1
[M-H]- 220.06152 151.1
[M+NH4]+ 239.10262 165.0
[M+K]+ 260.03196 148.3
[M+H-H2O]+ 204.06606 145.8
[M+HCOO]- 266.06700 172.4
[M+CH3COO]- 280.08265 181.3
[M+Na-2H]- 242.04347 153.5
[M]+ 221.06825 148.0
[M]- 221.06935 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe