CID 14462389

3-(2-aminoethoxy)propanoic acid

Structural Information

Molecular Formula
C5H11NO3
SMILES
C(COCCN)C(=O)O
InChI
InChI=1S/C5H11NO3/c6-2-4-9-3-1-5(7)8/h1-4,6H2,(H,7,8)
InChIKey
ZCQVVSMJNBNDAQ-UHFFFAOYSA-N
Compound name
3-(2-aminoethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

375
Patents

133.0739 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.0
[M+Na]+ 156.06312 133.3
[M-H]- 132.06662 125.4
[M+NH4]+ 151.10772 147.6
[M+K]+ 172.03706 133.2
[M+H-H2O]+ 116.07116 122.1
[M+HCOO]- 178.07210 149.9
[M+CH3COO]- 192.08775 171.6
[M+Na-2H]- 154.04857 131.9
[M]+ 133.07335 127.1
[M]- 133.07445 127.1
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