CID 595936

Acetyl-l-tyrosine amide

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(=O)NC(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)
InChIKey
RJNKBEQRBIJDNM-UHFFFAOYSA-N
Compound name
2-acetamido-3-(4-hydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

285
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

No literature data available for this compound.

Patent stripe

patents stripe