CID 281622

3-(carboxymethylamino)propanoic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
C(CNCC(=O)O)C(=O)O
InChI
InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10)
InChIKey
GAUBNQMYYJLWNF-UHFFFAOYSA-N
Compound name
3-(carboxymethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3005
Patents

147.05316 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 128.9
[M+Na]+ 170.04238 134.7
[M-H]- 146.04588 126.4
[M+NH4]+ 165.08698 148.1
[M+K]+ 186.01632 134.4
[M+H-H2O]+ 130.05042 124.0
[M+HCOO]- 192.05136 150.3
[M+CH3COO]- 206.06701 171.8
[M+Na-2H]- 168.02783 133.0
[M]+ 147.05261 128.1
[M]- 147.05371 128.1
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