CID 2733826

1,1-dimethylethyl (3r)-3-aminobutanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
C[C@H](CC(=O)OC(C)(C)C)N
InChI
InChI=1S/C8H17NO2/c1-6(9)5-7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1
InChIKey
BFFNZGWJTHWUMY-ZCFIWIBFSA-N
Compound name
tert-butyl (3R)-3-aminobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

159.12593 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe