CID 7010710

274262-82-7

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)C[C@H](C(=O)O)N
InChI
InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKey
CSJZKSXYLTYFPU-LLVKDONJSA-N
Compound name
(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

221.14159 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.5
[M+Na]+ 244.13081 162.0
[M+NH4]+ 239.17541 159.2
[M+K]+ 260.10475 158.0
[M-H]- 220.13431 153.0
[M+Na-2H]- 242.11626 156.8
[M]+ 221.14104 153.8
[M]- 221.14214 153.8
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