CID 5709594

Ethyl 3-amino-3-ethoxyacrylate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCO/C(=C/C(=O)OCC)/N
InChI
InChI=1S/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h5H,3-4,8H2,1-2H3/b6-5+
InChIKey
XLTPBSBNLKQLHB-AATRIKPKSA-N
Compound name
ethyl (E)-3-amino-3-ethoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

159.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 135.2
[M+Na]+ 182.078758 141.3
[M-H]- 158.082264 134.9
[M+NH4]+ 177.123363 155.5
[M+K]+ 198.052698 141.5
[M+H-H2O]+ 142.086800 129.9
[M+HCOO]- 204.087741 158.2
[M+CH3COO]- 218.103391 178.8
[M+Na-2H]- 180.064206 138.3
[M]+ 159.08899142 136.4
[M]- 159.09008858 136.4
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