CID 96643

2-(dimethylamino)ethyl propanoate

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCC(=O)OCCN(C)C
InChI
InChI=1S/C7H15NO2/c1-4-7(9)10-6-5-8(2)3/h4-6H2,1-3H3
InChIKey
UVSPBAFXKQMDBG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
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 132.5
[M+Na]+ 168.099498 138.8
[M-H]- 144.103004 134.2
[M+NH4]+ 163.144103 154.5
[M+K]+ 184.073438 140.5
[M+H-H2O]+ 128.107540 127.2
[M+HCOO]- 190.108481 157.2
[M+CH3COO]- 204.124131 181.8
[M+Na-2H]- 166.084946 137.3
[M]+ 145.10973142 136.1
[M]- 145.11082858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe