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

180
Patents

209.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 147.0
[M+Na]+ 232.094418 152.4
[M-H]- 208.097924 147.8
[M+NH4]+ 227.139023 164.1
[M+K]+ 248.068358 150.2
[M+H-H2O]+ 192.102460 141.0
[M+HCOO]- 254.103401 167.8
[M+CH3COO]- 268.119051 184.7
[M+Na-2H]- 230.079866 150.1
[M]+ 209.10465142 145.7
[M]- 209.10574858 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