CID 10910775

50890-96-5

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC(=O)N[C@H](C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C10H11NO4/c1-15-10(14)11-8(9(12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,14)(H,12,13)/t8-/m1/s1
InChIKey
GOJLQSAREKTKPT-MRVPVSSYSA-N
Compound name
(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

653
Patents

209.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.2
[M+Na]+ 232.05802 149.5
[M-H]- 208.06152 146.3
[M+NH4]+ 227.10262 161.5
[M+K]+ 248.03196 148.9
[M+H-H2O]+ 192.06606 137.8
[M+HCOO]- 254.06700 166.3
[M+CH3COO]- 268.08265 184.4
[M+Na-2H]- 230.04347 147.9
[M]+ 209.06825 144.1
[M]- 209.06935 144.1
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