CID 13129055

Methyl 2-methyl-3-(methylamino)propanoate

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(CNC)C(=O)OC
InChI
InChI=1S/C6H13NO2/c1-5(4-7-2)6(8)9-3/h5,7H,4H2,1-3H3
InChIKey
SXSWYMMPWYAQNU-UHFFFAOYSA-N
Compound name
methyl 2-methyl-3-(methylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

131.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.6
[M+Na]+ 154.08386 134.9
[M-H]- 130.08736 129.1
[M+NH4]+ 149.12846 150.4
[M+K]+ 170.05780 135.9
[M+H-H2O]+ 114.09190 123.8
[M+HCOO]- 176.09284 152.2
[M+CH3COO]- 190.10849 176.0
[M+Na-2H]- 152.06931 133.3
[M]+ 131.09409 129.9
[M]- 131.09519 129.9
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