CID 498877

Nsc637661

Structural Information

Molecular Formula
C10H18BN6O4
SMILES
[B-]12(N(C(=O)N(C(=O)N1C)C)C)N(C(=O)N(C(=O)N2C)C)C
InChI
InChI=1S/C10H18BN6O4/c1-12-7(18)14(3)11(15(4)8(12)19)16(5)9(20)13(2)10(21)17(11)6/h1-6H3/q-1
InChIKey
XZDRPNJLIDPJEP-UHFFFAOYSA-N
Compound name
1,3,5,7,9,11-hexamethyl-1,3,5,7,9,11-hexaza-6-boranuidaspiro[5.5]undecane-2,4,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15553 172.3
[M+Na]+ 320.13747 184.1
[M-H]- 296.14097 169.8
[M+NH4]+ 315.18207 182.4
[M+K]+ 336.11141 180.7
[M+H-H2O]+ 280.14551 166.3
[M+HCOO]- 342.14645 181.5
[M+CH3COO]- 356.16210 205.5
[M+Na-2H]- 318.12292 171.0
[M]+ 297.14770 169.6
[M]- 297.14880 169.6
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.