CID 23594366

Ethyl 2-amino-3-cyclobutylpropanoate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCOC(=O)C(CC1CCC1)N
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3
InChIKey
LBMYKRXWOHTRIK-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-cyclobutylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

171.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 142.3
[M+Na]+ 194.11515 145.1
[M-H]- 170.11865 144.6
[M+NH4]+ 189.15975 155.2
[M+K]+ 210.08909 148.1
[M+H-H2O]+ 154.12319 130.8
[M+HCOO]- 216.12413 162.2
[M+CH3COO]- 230.13978 185.8
[M+Na-2H]- 192.10060 143.7
[M]+ 171.12538 149.2
[M]- 171.12648 149.2
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