CID 674252

Methyl alpha-cyanocinnamate

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC(=O)/C(=C/C1=CC=CC=C1)/C#N
InChI
InChI=1S/C11H9NO2/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChIKey
XLNFLJOWTRDNCX-JXMROGBWSA-N
Compound name
methyl (E)-2-cyano-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

80
Patents

187.06332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 143.5
[M+Na]+ 210.05254 152.5
[M-H]- 186.05604 146.6
[M+NH4]+ 205.09714 161.0
[M+K]+ 226.02648 149.5
[M+H-H2O]+ 170.06058 131.0
[M+HCOO]- 232.06152 162.8
[M+CH3COO]- 246.07717 193.4
[M+Na-2H]- 208.03799 147.6
[M]+ 187.06277 139.0
[M]- 187.06387 139.0
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