CID 333448

114148-81-1

Structural Information

Molecular Formula
C8H15N3O4
SMILES
CCC(C(=O)NCC(=O)NCC(=O)O)N
InChI
InChI=1S/C8H15N3O4/c1-2-5(9)8(15)11-3-6(12)10-4-7(13)14/h5H,2-4,9H2,1H3,(H,10,12)(H,11,15)(H,13,14)
InChIKey
BCUXQQNDDSPNRK-UHFFFAOYSA-N
Compound name
2-[[2-(2-aminobutanoylamino)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10626 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11354 149.3
[M+Na]+ 240.09548 152.5
[M-H]- 216.09898 147.4
[M+NH4]+ 235.14008 165.3
[M+K]+ 256.06942 152.8
[M+H-H2O]+ 200.10352 142.7
[M+HCOO]- 262.10446 170.8
[M+CH3COO]- 276.12011 193.2
[M+Na-2H]- 238.08093 149.3
[M]+ 217.10571 146.7
[M]- 217.10681 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.