CID 6207

67-42-5

Structural Information

Molecular Formula
C14H24N2O10
SMILES
C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
DEFVIWRASFVYLL-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

16392
References

57531
Patents

380.1431 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15038 198.4
[M+Na]+ 403.13232 207.2
[M-H]- 379.13582 204.7
[M+NH4]+ 398.17692 205.5
[M+K]+ 419.10626 198.7
[M+H-H2O]+ 363.14036 200.1
[M+HCOO]- 425.14130 197.2
[M+CH3COO]- 439.15695 219.7
[M+Na-2H]- 401.11777 190.5
[M]+ 380.14255 193.7
[M]- 380.14365 193.7
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