CID 11170956

2-(2-aminoethoxy)acetic acid

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
3
Annotation Hits

4
References

1449
Patents

119.05824 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.4
[M+Na]+ 142.047458 129.2
[M-H]- 118.050964 121.0
[M+NH4]+ 137.092063 143.5
[M+K]+ 158.021398 129.3
[M+H-H2O]+ 102.055500 117.7
[M+HCOO]- 164.056441 145.7
[M+CH3COO]- 178.072091 168.5
[M+Na-2H]- 140.032906 127.9
[M]+ 119.05769142 122.1
[M]- 119.05878858 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