CID 60795798

Ethyl 2-(cyclopropylamino)butanoate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCC(C(=O)OCC)NC1CC1
InChI
InChI=1S/C9H17NO2/c1-3-8(9(11)12-4-2)10-7-5-6-7/h7-8,10H,3-6H2,1-2H3
InChIKey
VOJSSFUYXICTSO-UHFFFAOYSA-N
Compound name
ethyl 2-(cyclopropylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.8
[M+Na]+ 194.11515 145.9
[M-H]- 170.11865 143.2
[M+NH4]+ 189.15975 154.1
[M+K]+ 210.08909 144.3
[M+H-H2O]+ 154.12319 132.6
[M+HCOO]- 216.12413 161.8
[M+CH3COO]- 230.13978 186.7
[M+Na-2H]- 192.10060 142.8
[M]+ 171.12538 142.5
[M]- 171.12648 142.5
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