CID 7019938

Tert-butyl (2r)-2-aminobutanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC[C@@H](C(=O)OC(C)(C)C)N
InChI
InChI=1S/C8H17NO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m0/s1
InChIKey
UZHNWSLHLJLEAZ-LURJTMIESA-N
Compound name
tert-butyl (2S)-2-aminobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

474
Patents

159.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.6
[M+Na]+ 182.11515 143.6
[M-H]- 158.11865 137.5
[M+NH4]+ 177.15975 158.3
[M+K]+ 198.08909 144.2
[M+H-H2O]+ 142.12319 133.2
[M+HCOO]- 204.12413 158.4
[M+CH3COO]- 218.13978 181.0
[M+Na-2H]- 180.10060 141.0
[M]+ 159.12538 138.1
[M]- 159.12648 138.1
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