CID 20213381

Ethyl 2-(cyclopropylamino)propanoate

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(=O)C(C)NC1CC1
InChI
InChI=1S/C8H15NO2/c1-3-11-8(10)6(2)9-7-4-5-7/h6-7,9H,3-5H2,1-2H3
InChIKey
HULIOAYHEJWNGC-UHFFFAOYSA-N
Compound name
ethyl 2-(cyclopropylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

157.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.5
[M+Na]+ 180.09950 142.0
[M-H]- 156.10300 139.1
[M+NH4]+ 175.14410 150.4
[M+K]+ 196.07344 140.7
[M+H-H2O]+ 140.10754 128.5
[M+HCOO]- 202.10848 157.8
[M+CH3COO]- 216.12413 183.8
[M+Na-2H]- 178.08495 139.0
[M]+ 157.10973 137.9
[M]- 157.11083 137.9
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