CID 373486

Nsc649893

Structural Information

Molecular Formula
C13H16INO
SMILES
CC(C)(C)NC(=O)C12C3C4C1C5C2C3C45I
InChI
InChI=1S/C13H16INO/c1-11(2,3)15-10(16)12-4-7-5(12)9-6(12)8(4)13(7,9)14/h4-9H,1-3H3,(H,15,16)
InChIKey
HXOAWHZOFBLXAV-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-iodocubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.02765 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.03493 216.3
[M+Na]+ 352.01687 214.4
[M-H]- 328.02037 218.1
[M+NH4]+ 347.06147 211.1
[M+K]+ 367.99081 219.7
[M+H-H2O]+ 312.02491 204.0
[M+HCOO]- 374.02585 216.1
[M+CH3COO]- 388.04150 264.3
[M+Na-2H]- 350.00232 207.1
[M]+ 329.02710 233.7
[M]- 329.02820 233.7
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.