CID 9574204

Rp-.alpha.-borano-d4t-tp

Structural Information

Molecular Formula
C10H14BN2O12P3
SMILES
[B-][P@](=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H14BN2O12P3/c1-6-4-13(10(15)12-9(6)14)8-3-2-7(23-8)5-22-26(11,16)24-28(20,21)25-27(17,18)19/h2-4,7-8H,5H2,1H3,(H,20,21)(H,12,14,15)(H2,17,18,19)/q-1/t7-,8+,26-/m0/s1
InChIKey
DMWRQFVULWMTQM-IKNKDWGYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

457.98526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.99254 188.6
[M+Na]+ 480.97448 191.3
[M-H]- 456.97798 191.2
[M+NH4]+ 476.01908 192.4
[M+K]+ 496.94842 194.5
[M+H-H2O]+ 440.98252 177.3
[M+HCOO]- 502.98346 216.7
[M+CH3COO]- 516.99911 216.3
[M+Na-2H]- 478.95993 193.3
[M]+ 457.98471 191.1
[M]- 457.98581 191.1
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.