CID 12859677

Ethyl 3-amino-4-methylpentanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCOC(=O)CC(C(C)C)N
InChI
InChI=1S/C8H17NO2/c1-4-11-8(10)5-7(9)6(2)3/h6-7H,4-5,9H2,1-3H3
InChIKey
UEXXWHOBPJEQJJ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

159.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.5
[M+Na]+ 182.11515 145.2
[M+NH4]+ 177.15975 144.1
[M+K]+ 198.08909 141.8
[M-H]- 158.11865 136.2
[M+Na-2H]- 180.10060 139.2
[M]+ 159.12538 137.8
[M]- 159.12648 137.8
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