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

505
Patents

207.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 148.2
[M+Na]+ 230.115148 153.8
[M-H]- 206.118654 151.2
[M+NH4]+ 225.159753 166.6
[M+K]+ 246.089088 152.6
[M+H-H2O]+ 190.123190 142.3
[M+HCOO]- 252.124131 169.3
[M+CH3COO]- 266.139781 188.4
[M+Na-2H]- 228.100596 152.2
[M]+ 207.12538142 147.7
[M]- 207.12647858 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