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]+ 261.159746 238.7
[M+Na]+ 283.141688 236.7
[M-H]- 259.145194 242.0
[M+NH4]+ 278.186293 233.0
[M+K]+ 299.115628 241.7
[M+H-H2O]+ 243.149730 224.9
[M+HCOO]- 305.150671 238.4
[M+CH3COO]- 319.166321 267.3
[M+Na-2H]- 281.127136 229.4
[M]+ 260.15192142 257.2
[M]- 260.15301858 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.