CID 735956

1948-71-6

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N
InChI
InChI=1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1
InChIKey
RJNKBEQRBIJDNM-JTQLQIEISA-N
Compound name
(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

283
Patents

222.10045 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 150.0
[M+Na]+ 245.08967 154.9
[M-H]- 221.09317 151.7
[M+NH4]+ 240.13427 166.4
[M+K]+ 261.06361 153.3
[M+H-H2O]+ 205.09771 143.4
[M+HCOO]- 267.09865 171.8
[M+CH3COO]- 281.11430 191.9
[M+Na-2H]- 243.07512 151.6
[M]+ 222.09990 147.4
[M]- 222.10100 147.4
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