CID 668187

2169-69-9

Structural Information

Molecular Formula
C12H11NO2
SMILES
CCOC(=O)/C(=C/C1=CC=CC=C1)/C#N
InChI
InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+
InChIKey
KCDAMWRCUXGACP-DHZHZOJOSA-N
Compound name
ethyl (E)-2-cyano-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

2330
Patents

201.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 147.6
[M+Na]+ 224.06820 156.2
[M-H]- 200.07170 150.5
[M+NH4]+ 219.11280 164.5
[M+K]+ 240.04214 152.9
[M+H-H2O]+ 184.07624 134.9
[M+HCOO]- 246.07718 166.5
[M+CH3COO]- 260.09283 196.1
[M+Na-2H]- 222.05365 151.2
[M]+ 201.07843 143.4
[M]- 201.07953 143.4
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