CID 11298312

37763-23-8

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(=O)[C@@H](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/t8-/m1/s1
InChIKey
SZBDOFWNZVHVGR-MRVPVSSYSA-N
Compound name
methyl (2R)-2-amino-2-(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

417
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 137.8
[M+Na]+ 204.06312 144.5
[M-H]- 180.06662 139.9
[M+NH4]+ 199.10772 156.5
[M+K]+ 220.03706 143.3
[M+H-H2O]+ 164.07116 132.0
[M+HCOO]- 226.07210 160.1
[M+CH3COO]- 240.08775 180.5
[M+Na-2H]- 202.04857 141.5
[M]+ 181.07335 136.7
[M]- 181.07445 136.7
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