CID 386204

Ethyl 1-aminocyclopropanecarboxylate hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
CCOC(=O)C1(CC1)N
InChI
InChI=1S/C6H11NO2/c1-2-9-5(8)6(7)3-4-6/h2-4,7H2,1H3
InChIKey
FDKHZRAIKUTQLE-UHFFFAOYSA-N
Compound name
ethyl 1-aminocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1069
Patents

129.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.6
[M+Na]+ 152.068198 135.8
[M-H]- 128.071704 131.2
[M+NH4]+ 147.112803 145.2
[M+K]+ 168.042138 135.1
[M+H-H2O]+ 112.076240 122.2
[M+HCOO]- 174.077181 150.4
[M+CH3COO]- 188.092831 176.1
[M+Na-2H]- 150.053646 133.3
[M]+ 129.07843142 129.3
[M]- 129.07952858 129.3
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