CID 20134646

Einecs 279-347-7

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

26
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 157.8
[M+Na]+ 288.00085 161.8
[M-H]- 264.00435 149.1
[M+NH4]+ 283.04545 148.5
[M+K]+ 303.97479 162.6
[M+H-H2O]+ 248.00889 149.5
[M+HCOO]- 310.00983 164.9
[M+CH3COO]- 324.02548 186.1
[M+Na-2H]- 285.98630 161.1
[M]+ 265.01108 158.1
[M]- 265.01218 158.1
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