CID 6017922

E3 ligase ligand 7

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C14H9NO2/c15-9-13(14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,(H,16,17)/b13-8+
InChIKey
DGBCTRJIBBKQEU-MDWZMJQESA-N
Compound name
(E)-2-cyano-3-naphthalen-2-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

223.06332 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 155.4
[M+Na]+ 246.05254 165.3
[M-H]- 222.05604 157.9
[M+NH4]+ 241.09714 171.9
[M+K]+ 262.02648 158.9
[M+H-H2O]+ 206.06058 143.0
[M+HCOO]- 268.06152 172.1
[M+CH3COO]- 282.07717 198.6
[M+Na-2H]- 244.03799 159.6
[M]+ 223.06277 149.3
[M]- 223.06387 149.3
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