CID 15954482

.alpha.-bh3-ddatp

Structural Information

Molecular Formula
C10H15BN5O10P3
SMILES
[B-][P@](=O)(OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H15BN5O10P3/c11-27(17,25-29(21,22)26-28(18,19)20)23-3-6-1-2-7(24-6)16-5-15-8-9(12)13-4-14-10(8)16/h4-7H,1-3H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/q-1/t6-,7+,27-/m0/s1
InChIKey
JEMXZNXKQSQRFS-MMWJVQKISA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.01248 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.01976 192.5
[M+Na]+ 492.00170 193.0
[M-H]- 468.00520 188.3
[M+NH4]+ 487.04630 194.9
[M+K]+ 507.97564 197.2
[M+H-H2O]+ 452.00974 180.7
[M+HCOO]- 514.01068 217.1
[M+CH3COO]- 528.02633 222.5
[M+Na-2H]- 489.98715 197.0
[M]+ 469.01193 192.1
[M]- 469.01303 192.1
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.