CID 437603

Ethyl 2-amino-2-ethylbutanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCC(CC)(C(=O)OCC)N
InChI
InChI=1S/C8H17NO2/c1-4-8(9,5-2)7(10)11-6-3/h4-6,9H2,1-3H3
InChIKey
YMIUIXFNNAURHO-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-ethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

159.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.8
[M+Na]+ 182.11515 144.8
[M+NH4]+ 177.15975 143.4
[M+K]+ 198.08909 141.0
[M-H]- 158.11865 135.2
[M+Na-2H]- 180.10060 139.1
[M]+ 159.12538 137.1
[M]- 159.12648 137.1
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