CID 369195

Nsc640901

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C#N
InChI
InChI=1S/C15H18N2O/c1-13(2,3)17(4)12(18)15-9-6-10(15)8-11(15)7(9)14(6,8)5-16/h6-11H,1-4H3
InChIKey
XVBQEBITCDGQDN-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-cyano-N-methylcubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 212.4
[M+Na]+ 265.13112 212.1
[M-H]- 241.13462 216.3
[M+NH4]+ 260.17572 208.3
[M+K]+ 281.10506 217.8
[M+H-H2O]+ 225.13916 199.3
[M+HCOO]- 287.14010 212.8
[M+CH3COO]- 301.15575 265.8
[M+Na-2H]- 263.11657 206.2
[M]+ 242.14135 228.5
[M]- 242.14245 228.5
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.