CID 64146905

Ethyl (4e)-2-aminohex-4-enoate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(=O)C(C/C=C/C)N
InChI
InChI=1S/C8H15NO2/c1-3-5-6-7(9)8(10)11-4-2/h3,5,7H,4,6,9H2,1-2H3/b5-3+
InChIKey
UBRFBUQRIYRJOL-HWKANZROSA-N
Compound name
ethyl (E)-2-aminohex-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 137.1
[M+Na]+ 180.09950 142.9
[M-H]- 156.10300 136.7
[M+NH4]+ 175.14410 157.6
[M+K]+ 196.07344 142.4
[M+H-H2O]+ 140.10754 132.0
[M+HCOO]- 202.10848 159.6
[M+CH3COO]- 216.12413 179.8
[M+Na-2H]- 178.08495 139.7
[M]+ 157.10973 137.3
[M]- 157.11083 137.3
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

No patent data available for this compound.