CID 4123006

Methyl 2-amino-2-(4-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(=O)C(C1=CC=C(C=C1)O)N
InChI
InChI=1S/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3
InChIKey
SZBDOFWNZVHVGR-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

181.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.9
[M+Na]+ 204.06312 148.1
[M+NH4]+ 199.10772 144.9
[M+K]+ 220.03706 144.3
[M-H]- 180.06662 138.7
[M+Na-2H]- 202.04857 142.8
[M]+ 181.07335 139.2
[M]- 181.07445 139.2
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

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