CID 736236

Alpha-cyano-4-methoxycinnamic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+
InChIKey
KMHNRJDDHTZZDZ-RMKNXTFCSA-N
Compound name
(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

209
Patents

203.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 146.3
[M+Na]+ 226.04746 155.4
[M-H]- 202.05096 148.4
[M+NH4]+ 221.09206 162.6
[M+K]+ 242.02140 152.4
[M+H-H2O]+ 186.05550 134.0
[M+HCOO]- 248.05644 164.3
[M+CH3COO]- 262.07209 194.6
[M+Na-2H]- 224.03291 149.3
[M]+ 203.05769 141.7
[M]- 203.05879 141.7
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