CID 369224

1,4-cubanedicarboxamide

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C12C3C4C1(C5C2C3(C45)C(=O)N)C(=O)N
InChI
InChI=1S/C10H10N2O2/c11-7(13)9-1-2-4(9)6-5(9)3(1)10(2,6)8(12)14/h1-6H,(H2,11,13)(H2,12,14)
InChIKey
NWHUFDQYQYJTDD-UHFFFAOYSA-N
Compound name
cubane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

190.07423 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 224.5
[M+Na]+ 213.06345 223.3
[M-H]- 189.06695 227.6
[M+NH4]+ 208.10805 219.5
[M+K]+ 229.03739 228.0
[M+H-H2O]+ 173.07149 210.8
[M+HCOO]- 235.07243 225.2
[M+CH3COO]- 249.08808 262.2
[M+Na-2H]- 211.04890 216.4
[M]+ 190.07368 242.4
[M]- 190.07478 242.4
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.