CID 89016

Tert-butyl (2r)-2-aminopropanoate

Structural Information

Molecular Formula
C7H15NO2
SMILES
C[C@@H](C(=O)OC(C)(C)C)N
InChI
InChI=1S/C7H15NO2/c1-5(8)6(9)10-7(2,3)4/h5H,8H2,1-4H3/t5-/m0/s1
InChIKey
TZHVYFBSLOMRCU-YFKPBYRVSA-N
Compound name
tert-butyl (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4490
Patents

145.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.9
[M+Na]+ 168.09950 139.3
[M-H]- 144.10300 133.0
[M+NH4]+ 163.14410 154.1
[M+K]+ 184.07344 140.1
[M+H-H2O]+ 128.10754 128.7
[M+HCOO]- 190.10848 154.0
[M+CH3COO]- 204.12413 178.0
[M+Na-2H]- 166.08495 136.8
[M]+ 145.10973 133.0
[M]- 145.11083 133.0
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