CID 14882781

Ethyl 2-(aminomethyl)-2-ethylbutanoate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCC(CC)(CN)C(=O)OCC
InChI
InChI=1S/C9H19NO2/c1-4-9(5-2,7-10)8(11)12-6-3/h4-7,10H2,1-3H3
InChIKey
RKLOVNYPVLBMAB-UHFFFAOYSA-N
Compound name
ethyl 2-(aminomethyl)-2-ethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

173.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 142.1
[M+Na]+ 196.130808 147.9
[M-H]- 172.134314 141.7
[M+NH4]+ 191.175413 162.2
[M+K]+ 212.104748 147.6
[M+H-H2O]+ 156.138850 137.3
[M+HCOO]- 218.139791 163.5
[M+CH3COO]- 232.155441 183.9
[M+Na-2H]- 194.116256 146.2
[M]+ 173.14104142 143.7
[M]- 173.14213858 143.7
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