CID 14346035

2-[(methoxycarbonyl)(methyl)amino]acetic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
CN(CC(=O)O)C(=O)OC
InChI
InChI=1S/C5H9NO4/c1-6(3-4(7)8)5(9)10-2/h3H2,1-2H3,(H,7,8)
InChIKey
JCEXOJXRRPCPJJ-UHFFFAOYSA-N
Compound name
2-[methoxycarbonyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

147.05316 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.060436 127.9
[M+Na]+ 170.042378 134.7
[M-H]- 146.045884 128.6
[M+NH4]+ 165.086983 148.9
[M+K]+ 186.016318 136.8
[M+H-H2O]+ 130.050420 123.0
[M+HCOO]- 192.051361 151.5
[M+CH3COO]- 206.067011 176.4
[M+Na-2H]- 168.027826 132.1
[M]+ 147.05261142 130.3
[M]- 147.05370858 130.3
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