CID 83545

5473-12-1

Structural Information

Molecular Formula
C4H9NO2
SMILES
CNCC(=O)OC
InChI
InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3
InChIKey
VXGABWCSZZWXPC-UHFFFAOYSA-N
Compound name
methyl 2-(methylamino)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3326
Patents

103.06333 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 118.8
[M+Na]+ 126.05255 126.1
[M-H]- 102.05605 119.5
[M+NH4]+ 121.09715 141.8
[M+K]+ 142.02649 127.2
[M+H-H2O]+ 86.060590 114.3
[M+HCOO]- 148.06153 144.0
[M+CH3COO]- 162.07718 169.1
[M+Na-2H]- 124.03800 125.9
[M]+ 103.06278 120.0
[M]- 103.06388 120.0
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