CID 20134646

79915-69-8

Structural Information

Molecular Formula
C4H13NO8P2
SMILES
CC(N(CO)CO)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C4H13NO8P2/c1-4(14(8,9)10,15(11,12)13)5(2-6)3-7/h6-7H,2-3H2,1H3,(H2,8,9,10)(H2,11,12,13)
InChIKey
QXVJRDMNUOAUNI-UHFFFAOYSA-N
Compound name
[1-[bis(hydroxymethyl)amino]-1-phosphonoethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

265.01163 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.01891 154.0
[M+Na]+ 288.00085 155.2
[M+NH4]+ 283.04545 156.7
[M+K]+ 303.97479 159.5
[M-H]- 264.00435 144.6
[M+Na-2H]- 285.98630 149.9
[M]+ 265.01108 150.4
[M]- 265.01218 150.4
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