CID 6436159

Cinametic acid

Structural Information

Molecular Formula
C12H14O5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)OCCO
InChI
InChI=1S/C12H14O5/c1-16-11-8-9(3-5-12(14)15)2-4-10(11)17-7-6-13/h2-5,8,13H,6-7H2,1H3,(H,14,15)/b5-3+
InChIKey
YNUMZJCKFQVSRH-HWKANZROSA-N
Compound name
(E)-3-[4-(2-hydroxyethoxy)-3-methoxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

114
Patents

238.08412 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.091396 150.7
[M+Na]+ 261.073338 157.8
[M-H]- 237.076844 151.7
[M+NH4]+ 256.117943 167.1
[M+K]+ 277.047278 155.5
[M+H-H2O]+ 221.081380 144.7
[M+HCOO]- 283.082321 171.7
[M+CH3COO]- 297.097971 186.4
[M+Na-2H]- 259.058786 153.8
[M]+ 238.08357142 153.8
[M]- 238.08466858 153.8
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