CID 62246

68140-45-4

Structural Information

Molecular Formula
C6H18NO12P3
SMILES
C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)O
InChI
InChI=1S/C6H18NO12P3/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKey
UITHHINVTNPXDF-UHFFFAOYSA-N
Compound name
2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

389.00418 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.01146 172.6
[M+Na]+ 411.99340 180.5
[M+NH4]+ 407.03800 183.2
[M+K]+ 427.96734 175.2
[M-H]- 387.99690 177.1
[M+Na-2H]- 409.97885 174.6
[M]+ 389.00363 176.2
[M]- 389.00473 176.2
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