CID 7015059

Tert-butyl (2r)-2-amino-2-phenylacetate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)(C)OC(=O)[C@@H](C1=CC=CC=C1)N
InChI
InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3/t10-/m1/s1
InChIKey
HJLYKRGXTOVWFL-SNVBAGLBSA-N
Compound name
tert-butyl (2R)-2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

458
Patents

207.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.2
[M+Na]+ 230.11515 153.8
[M-H]- 206.11865 151.2
[M+NH4]+ 225.15975 166.6
[M+K]+ 246.08909 152.6
[M+H-H2O]+ 190.12319 142.3
[M+HCOO]- 252.12413 169.3
[M+CH3COO]- 266.13978 188.4
[M+Na-2H]- 228.10060 152.2
[M]+ 207.12538 147.7
[M]- 207.12648 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe