CID 53396017

Methyl 3-(3-cyanophenyl)prop-2-enoate

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC(=O)C=CC1=CC(=CC=C1)C#N
InChI
InChI=1S/C11H9NO2/c1-14-11(13)6-5-9-3-2-4-10(7-9)8-12/h2-7H,1H3
InChIKey
BQJYULBYGRTLPZ-UHFFFAOYSA-N
Compound name
methyl 3-(3-cyanophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

187.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 141.6
[M+Na]+ 210.05254 151.6
[M-H]- 186.05604 145.0
[M+NH4]+ 205.09714 159.5
[M+K]+ 226.02648 148.4
[M+H-H2O]+ 170.06058 129.3
[M+HCOO]- 232.06152 161.8
[M+CH3COO]- 246.07717 193.7
[M+Na-2H]- 208.03799 146.3
[M]+ 187.06277 138.0
[M]- 187.06387 138.0
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

patents stripe