CID 11106082

67472-79-1

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H9NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,1H3/b7-6+
InChIKey
CDZMIJFSAZPYEZ-VOTSOKGWSA-N
Compound name
methyl (E)-3-(4-cyanophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

187.06332 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe