CID 386906

Nsc679806

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC(C)N(C)C(=O)C12C3C4C1C5C2C3C45C#N
InChI
InChI=1S/C14H16N2O/c1-5(2)16(3)12(17)14-9-6-10(14)8-11(14)7(9)13(6,8)4-15/h5-11H,1-3H3
InChIKey
AONROARTWYDPPF-UHFFFAOYSA-N
Compound name
4-cyano-N-methyl-N-propan-2-ylcubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 209.5
[M+Na]+ 251.11549 209.0
[M-H]- 227.11899 213.3
[M+NH4]+ 246.16009 205.4
[M+K]+ 267.08943 214.9
[M+H-H2O]+ 211.12353 196.1
[M+HCOO]- 273.12447 210.1
[M+CH3COO]- 287.14012 265.3
[M+Na-2H]- 249.10094 203.0
[M]+ 228.12572 225.5
[M]- 228.12682 225.5
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.