CID 61717320

Ethyl 3-(cyclopropylamino)-2-methylpropanoate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCOC(=O)C(C)CNC1CC1
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)7(2)6-10-8-4-5-8/h7-8,10H,3-6H2,1-2H3
InChIKey
GQPJTQFHFDIHDF-UHFFFAOYSA-N
Compound name
ethyl 3-(cyclopropylamino)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 138.8
[M+Na]+ 194.115148 145.9
[M-H]- 170.118654 143.2
[M+NH4]+ 189.159753 154.1
[M+K]+ 210.089088 144.3
[M+H-H2O]+ 154.123190 132.6
[M+HCOO]- 216.124131 161.8
[M+CH3COO]- 230.139781 186.7
[M+Na-2H]- 192.100596 142.8
[M]+ 171.12538142 142.5
[M]- 171.12647858 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