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

297
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 144.9
[M+Na]+ 230.07876 151.8
[M-H]- 206.08226 146.1
[M+NH4]+ 225.12336 162.4
[M+K]+ 246.05270 148.5
[M+H-H2O]+ 190.08680 139.1
[M+HCOO]- 252.08774 166.9
[M+CH3COO]- 266.10339 184.1
[M+Na-2H]- 228.06421 148.7
[M]+ 207.08899 144.0
[M]- 207.09009 144.0
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