CID 14161567

Ethyl 4-ethoxy-4-iminobutanoate hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCOC(=N)CCC(=O)OCC
InChI
InChI=1S/C8H15NO3/c1-3-11-7(9)5-6-8(10)12-4-2/h9H,3-6H2,1-2H3
InChIKey
XUPUEDDHOLTGNC-UHFFFAOYSA-N
Compound name
ethyl 4-ethoxy-4-iminobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.3
[M+Na]+ 196.09442 145.0
[M-H]- 172.09792 139.4
[M+NH4]+ 191.13902 159.3
[M+K]+ 212.06836 145.4
[M+H-H2O]+ 156.10246 133.9
[M+HCOO]- 218.10340 162.6
[M+CH3COO]- 232.11905 182.5
[M+Na-2H]- 194.07987 143.0
[M]+ 173.10465 142.0
[M]- 173.10575 142.0
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