CID 447358

2-dimethylamino-ethyl-diphosphate

Structural Information

Molecular Formula
C4H13NO7P2
SMILES
CN(C)CCOP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C4H13NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKey
QGKJQRINUQGSJM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

30
Patents

249.01672 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02400 152.0
[M+Na]+ 272.00594 157.6
[M-H]- 248.00944 147.5
[M+NH4]+ 267.05054 160.3
[M+K]+ 287.97988 159.5
[M+H-H2O]+ 232.01398 143.0
[M+HCOO]- 294.01492 176.2
[M+CH3COO]- 308.03057 189.7
[M+Na-2H]- 269.99139 155.0
[M]+ 249.01617 157.7
[M]- 249.01727 157.7
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

No patent data available for this compound.