CID 14094492

2490404-38-9

Structural Information

Molecular Formula
C6H11NO4
SMILES
CCOC(=O)CNCC(=O)O
InChI
InChI=1S/C6H11NO4/c1-2-11-6(10)4-7-3-5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKey
VVKZCUGDWOHEBO-UHFFFAOYSA-N
Compound name
2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

161.0688 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07608 133.0
[M+Na]+ 184.05802 138.9
[M-H]- 160.06152 131.8
[M+NH4]+ 179.10262 152.5
[M+K]+ 200.03196 139.3
[M+H-H2O]+ 144.06606 127.8
[M+HCOO]- 206.06700 155.6
[M+CH3COO]- 220.08265 176.6
[M+Na-2H]- 182.04347 137.2
[M]+ 161.06825 134.5
[M]- 161.06935 134.5
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