CID 369190

Nsc640896

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N
InChI
InChI=1S/C15H20N2O2/c1-13(2,3)17(4)12(19)15-8-5-9(15)7-10(15)6(8)14(5,7)11(16)18/h5-10H,1-4H3,(H2,16,18)
InChIKey
GUJRJBHITGZTLU-UHFFFAOYSA-N
Compound name
4-N-tert-butyl-4-N-methylcubane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 238.7
[M+Na]+ 283.14169 236.7
[M-H]- 259.14519 242.0
[M+NH4]+ 278.18629 233.0
[M+K]+ 299.11563 241.7
[M+H-H2O]+ 243.14973 224.9
[M+HCOO]- 305.15067 238.4
[M+CH3COO]- 319.16632 267.3
[M+Na-2H]- 281.12714 229.4
[M]+ 260.15192 257.2
[M]- 260.15302 257.2
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.