CID 369187

Nsc640893

Structural Information

Molecular Formula
C15H20INO
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45I
InChI
InChI=1S/C15H20INO/c1-5(2)17(6(3)4)13(18)14-7-10-8(14)12-9(14)11(7)15(10,12)16/h5-12H,1-4H3
InChIKey
WCVGLNVAMUMZJP-UHFFFAOYSA-N
Compound name
4-iodo-N,N-di(propan-2-yl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.05896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06624 224.0
[M+Na]+ 380.04818 221.1
[M-H]- 356.05168 225.7
[M+NH4]+ 375.09278 218.2
[M+K]+ 396.02212 226.9
[M+H-H2O]+ 340.05622 210.8
[M+HCOO]- 402.05716 223.2
[M+CH3COO]- 416.07281 267.2
[M+Na-2H]- 378.03363 212.6
[M]+ 357.05841 241.3
[M]- 357.05951 241.3
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.