CID 3938252

Tyrosine-n-acetyl,methyl ester

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC
InChI
InChI=1S/C12H15NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3-6,11,15H,7H2,1-2H3,(H,13,14)
InChIKey
KRMVXLWZDYZILN-UHFFFAOYSA-N
Compound name
methyl 2-acetamido-3-(4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

237.10011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.9
[M+Na]+ 260.08933 158.3
[M-H]- 236.09283 155.1
[M+NH4]+ 255.13393 169.4
[M+K]+ 276.06327 157.3
[M+H-H2O]+ 220.09737 146.4
[M+HCOO]- 282.09831 174.3
[M+CH3COO]- 296.11396 191.7
[M+Na-2H]- 258.07478 154.9
[M]+ 237.09956 153.9
[M]- 237.10066 153.9
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