CID 45093032

201610-44-8

Structural Information

Molecular Formula
C11H13NO3
SMILES
C=CC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H13NO3/c1-2-11(15)12-6-5-8-3-4-9(13)10(14)7-8/h2-4,7,13-14H,1,5-6H2,(H,12,15)
InChIKey
XNBSIDRUUSNPGM-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

207.08954 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 146.0
[M+Na]+ 230.07876 156.3
[M+NH4]+ 225.12336 152.3
[M+K]+ 246.05270 151.3
[M-H]- 206.08226 146.4
[M+Na-2H]- 228.06421 150.2
[M]+ 207.08899 147.2
[M]- 207.09009 147.2
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