CID 3889298

Methyl 3-(ethylamino)-2-methylpropanoate

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCNCC(C)C(=O)OC
InChI
InChI=1S/C7H15NO2/c1-4-8-5-6(2)7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKey
ZMGSTHPWYHINIC-UHFFFAOYSA-N
Compound name
methyl 3-(ethylamino)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

145.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 133.3
[M+Na]+ 168.099498 139.2
[M-H]- 144.103004 133.6
[M+NH4]+ 163.144103 154.5
[M+K]+ 184.073438 139.9
[M+H-H2O]+ 128.107540 128.2
[M+HCOO]- 190.108481 156.5
[M+CH3COO]- 204.124131 179.1
[M+Na-2H]- 166.084946 137.5
[M]+ 145.10973142 135.0
[M]- 145.11082858 135.0
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