CID 853460

29738-09-8

Structural Information

Molecular Formula
C9H11NO2
SMILES
C[C@@](C1=CC=CC=C1)(C(=O)O)N
InChI
InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m1/s1
InChIKey
HTCSFFGLRQDZDE-SECBINFHSA-N
Compound name
(2R)-2-amino-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

7367
Patents

165.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 134.4
[M+Na]+ 188.068198 140.9
[M-H]- 164.071704 136.3
[M+NH4]+ 183.112803 153.6
[M+K]+ 204.042138 139.0
[M+H-H2O]+ 148.076240 129.1
[M+HCOO]- 210.077181 155.9
[M+CH3COO]- 224.092831 177.2
[M+Na-2H]- 186.053646 140.7
[M]+ 165.07843142 131.6
[M]- 165.07952858 131.6
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