CID 51340918

1143516-05-5

Structural Information

Molecular Formula
C12H24N2O7
SMILES
C(COCCOCC(=O)NCCOCCOCC(=O)O)N
InChI
InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKey
YQZVQKYXWPIKIX-UHFFFAOYSA-N
Compound name
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

376
Patents

308.15836 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16564 168.2
[M+Na]+ 331.14758 170.1
[M-H]- 307.15108 165.1
[M+NH4]+ 326.19218 180.7
[M+K]+ 347.12152 170.6
[M+H-H2O]+ 291.15562 160.3
[M+HCOO]- 353.15656 189.9
[M+CH3COO]- 367.17221 205.9
[M+Na-2H]- 329.13303 169.2
[M]+ 308.15781 174.4
[M]- 308.15891 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe