CID 90514

Methyl (r)-aminophenylacetate

Structural Information

Molecular Formula
C9H11NO2
SMILES
COC(=O)[C@@H](C1=CC=CC=C1)N
InChI
InChI=1S/C9H11NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3/t8-/m1/s1
InChIKey
BHFLUDRTVIDDOR-MRVPVSSYSA-N
Compound name
methyl (2R)-2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

1966
Patents

165.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.8
[M+Na]+ 188.06820 141.1
[M-H]- 164.07170 138.0
[M+NH4]+ 183.11280 154.6
[M+K]+ 204.04214 140.2
[M+H-H2O]+ 148.07624 128.8
[M+HCOO]- 210.07718 158.5
[M+CH3COO]- 224.09283 179.7
[M+Na-2H]- 186.05365 139.7
[M]+ 165.07843 133.7
[M]- 165.07953 133.7
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