CID 369216

Nsc640922

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C#N
InChI
InChI=1S/C16H20N2O/c1-6(2)18(7(3)4)14(19)16-11-8-12(16)10-13(16)9(11)15(8,10)5-17/h6-13H,1-4H3
InChIKey
MYHHWNFVUMZQFI-UHFFFAOYSA-N
Compound name
4-cyano-N,N-di(propan-2-yl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 216.8
[M+Na]+ 279.14678 215.8
[M-H]- 255.15028 220.4
[M+NH4]+ 274.19138 212.2
[M+K]+ 295.12072 221.7
[M+H-H2O]+ 239.15482 203.1
[M+HCOO]- 301.15576 216.7
[M+CH3COO]- 315.17141 267.0
[M+Na-2H]- 277.13223 209.1
[M]+ 256.15701 232.6
[M]- 256.15811 232.6
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.