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]+ 265.06664 152.4
[M+Na]+ 287.04858 155.4
[M-H]- 263.05208 149.7
[M+NH4]+ 282.09318 165.9
[M+K]+ 303.02252 158.2
[M+H-H2O]+ 247.05662 146.0
[M+HCOO]- 309.05756 171.2
[M+CH3COO]- 323.07321 195.8
[M+Na-2H]- 285.03403 151.0
[M]+ 264.05881 153.5
[M]- 264.05991 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.