CID 643159

Alpha-cyanocinnamic acid

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+
InChIKey
CDUQMGQIHYISOP-RMKNXTFCSA-N
Compound name
(E)-2-cyano-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

46
References

4364
Patents

173.04768 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 140.8
[M+Na]+ 196.03690 149.7
[M-H]- 172.04040 142.8
[M+NH4]+ 191.08150 158.1
[M+K]+ 212.01084 146.2
[M+H-H2O]+ 156.04494 128.7
[M+HCOO]- 218.04588 159.0
[M+CH3COO]- 232.06153 189.0
[M+Na-2H]- 194.02235 144.8
[M]+ 173.04713 134.3
[M]- 173.04823 134.3
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