CID 164495

152007-82-4

Structural Information

Molecular Formula
C10H19N3O6
SMILES
C(CN(CCNCC(=O)O)CC(=O)O)NCC(=O)O
InChI
InChI=1S/C10H19N3O6/c14-8(15)5-11-1-3-13(7-10(18)19)4-2-12-6-9(16)17/h11-12H,1-7H2,(H,14,15)(H,16,17)(H,18,19)
InChIKey
NLDXOMJOXVLFNP-UHFFFAOYSA-N
Compound name
2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

277.12738 Da
Monoisotopic Mass

-8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13466 160.9
[M+Na]+ 300.11660 162.2
[M-H]- 276.12010 157.4
[M+NH4]+ 295.16120 173.5
[M+K]+ 316.09054 162.8
[M+H-H2O]+ 260.12464 153.4
[M+HCOO]- 322.12558 181.2
[M+CH3COO]- 336.14123 203.3
[M+Na-2H]- 298.10205 160.9
[M]+ 277.12683 161.1
[M]- 277.12793 161.1
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

patents stripe