CID 11332703

Ethyl 1'-amino-[1,1'-bi(cyclopropane)]-1-carboxylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(=O)C1(CC1)C2(CC2)N
InChI
InChI=1S/C9H15NO2/c1-2-12-7(11)8(3-4-8)9(10)5-6-9/h2-6,10H2,1H3
InChIKey
GJTHRLHFLIOVIM-UHFFFAOYSA-N
Compound name
ethyl 1-(1-aminocyclopropyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

169.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 147.2
[M+Na]+ 192.09950 154.2
[M-H]- 168.10300 154.3
[M+NH4]+ 187.14410 158.9
[M+K]+ 208.07344 155.3
[M+H-H2O]+ 152.10754 144.1
[M+HCOO]- 214.10848 166.2
[M+CH3COO]- 228.12413 192.7
[M+Na-2H]- 190.08495 151.5
[M]+ 169.10973 151.6
[M]- 169.11083 151.6
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