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]+ 218.113536 149.3
[M+Na]+ 240.095478 152.5
[M-H]- 216.098984 147.4
[M+NH4]+ 235.140083 165.3
[M+K]+ 256.069418 152.8
[M+H-H2O]+ 200.103520 142.7
[M+HCOO]- 262.104461 170.8
[M+CH3COO]- 276.120111 193.2
[M+Na-2H]- 238.080926 149.3
[M]+ 217.10571142 146.7
[M]- 217.10680858 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.