CID 69297245

Fema no. 4550

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(C(=O)NCCC1=CC=C(C=C1)O)O
InChI
InChI=1S/C11H15NO3/c1-8(13)11(15)12-7-6-9-2-4-10(14)5-3-9/h2-5,8,13-14H,6-7H2,1H3,(H,12,15)
InChIKey
UCBDNGDXEQXYDK-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

257
Patents

209.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 147.0
[M+Na]+ 232.09442 152.4
[M-H]- 208.09792 147.8
[M+NH4]+ 227.13902 164.1
[M+K]+ 248.06836 150.2
[M+H-H2O]+ 192.10246 141.0
[M+HCOO]- 254.10340 167.8
[M+CH3COO]- 268.11905 184.7
[M+Na-2H]- 230.07987 150.1
[M]+ 209.10465 145.7
[M]- 209.10575 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe