CID 75326

Einecs 218-997-8

Structural Information

Molecular Formula
C8H18N2O10P2
SMILES
C(CN(CC(=O)O)CP(=O)(O)O)N(CC(=O)O)CP(=O)(O)O
InChI
InChI=1S/C8H18N2O10P2/c11-7(12)3-9(5-21(15,16)17)1-2-10(4-8(13)14)6-22(18,19)20/h1-6H2,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey
RXHMBVBZOIQMJR-UHFFFAOYSA-N
Compound name
2-[2-[carboxymethyl(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

364.04367 Da
Monoisotopic Mass

-8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05095 180.4
[M+Na]+ 387.03289 184.9
[M-H]- 363.03639 188.2
[M+NH4]+ 382.07749 183.5
[M+K]+ 403.00683 174.3
[M+H-H2O]+ 347.04093 162.2
[M+HCOO]- 409.04187 185.1
[M+CH3COO]- 423.05752 210.7
[M+Na-2H]- 385.01834 168.1
[M]+ 364.04312 172.6
[M]- 364.04422 172.6
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