CID 109656

Triethanolamine, diphosphate ester

Structural Information

Molecular Formula
C6H17NO9P2
SMILES
C(CO)N(CCOP(=O)(O)O)CCOP(=O)(O)O
InChI
InChI=1S/C6H17NO9P2/c8-4-1-7(2-5-15-17(9,10)11)3-6-16-18(12,13)14/h8H,1-6H2,(H2,9,10,11)(H2,12,13,14)
InChIKey
UNPMPNUEYBTJPL-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

309.03784 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04512 165.2
[M+Na]+ 332.02706 166.3
[M+NH4]+ 327.07166 174.9
[M+K]+ 348.00100 169.1
[M-H]- 308.03056 168.7
[M+Na-2H]- 330.01251 160.7
[M]+ 309.03729 161.6
[M]- 309.03839 161.6
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