CID 11170956

10366-71-9

Structural Information

Molecular Formula
C4H9NO3
SMILES
C(COCC(=O)O)N
InChI
InChI=1S/C4H9NO3/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)
InChIKey
GNRLUBOJIGSVNT-UHFFFAOYSA-N
Compound name
2-(2-aminoethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1441
Patents

119.05824 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 122.4
[M+Na]+ 142.04746 129.2
[M-H]- 118.05096 121.0
[M+NH4]+ 137.09206 143.5
[M+K]+ 158.02140 129.3
[M+H-H2O]+ 102.05550 117.7
[M+HCOO]- 164.05644 145.7
[M+CH3COO]- 178.07209 168.5
[M+Na-2H]- 140.03291 127.9
[M]+ 119.05769 122.1
[M]- 119.05879 122.1
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