CID 22833422

Ns00130053

Structural Information

Molecular Formula
C8H12N2O8
SMILES
C(CN(CC(=O)O)C(=O)O)CN(C(=O)O)C(=O)O
InChI
InChI=1S/C8H12N2O8/c11-5(12)4-9(6(13)14)2-1-3-10(7(15)16)8(17)18/h1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKey
FTDFSULOBTXNTE-UHFFFAOYSA-N
Compound name
2-[carboxy-[3-(dicarboxyamino)propyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.05936 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.066636 152.4
[M+Na]+ 287.048578 155.4
[M-H]- 263.052084 149.7
[M+NH4]+ 282.093183 165.9
[M+K]+ 303.022518 158.2
[M+H-H2O]+ 247.056620 146.0
[M+HCOO]- 309.057561 171.2
[M+CH3COO]- 323.073211 195.8
[M+Na-2H]- 285.034026 151.0
[M]+ 264.05881142 153.5
[M]- 264.05990858 153.5
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.