CID 9567518

Sp-ttp-.alpha.-b

Structural Information

Molecular Formula
C10H16BN2O13P3
SMILES
[B-][P@@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H16BN2O13P3/c1-5-3-13(10(16)12-9(5)15)8-2-6(14)7(24-8)4-23-27(11,17)25-29(21,22)26-28(18,19)20/h3,6-8,14H,2,4H2,1H3,(H,21,22)(H,12,15,16)(H2,18,19,20)/q-1/t6-,7+,8+,27+/m0/s1
InChIKey
CLXPWJXXWRNGLH-IBOVHZNGSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

475.99582 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.00310 194.8
[M+Na]+ 498.98504 199.8
[M-H]- 474.98854 199.5
[M+NH4]+ 494.02964 198.8
[M+K]+ 514.95898 187.5
[M+H-H2O]+ 458.99308 179.9
[M+HCOO]- 520.99402 222.8
[M+CH3COO]- 535.00967 218.9
[M+Na-2H]- 496.97049 195.7
[M]+ 475.99527 191.7
[M]- 475.99637 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.