CID 373485

Nsc649892

Structural Information

Molecular Formula
C14H18INO
SMILES
CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45I
InChI
InChI=1S/C14H18INO/c1-12(2,3)16(4)11(17)13-5-8-6(13)10-7(13)9(5)14(8,10)15/h5-10H,1-4H3
InChIKey
YJYUIOSXPDSMKG-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-iodo-N-methylcubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0433 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05058 219.1
[M+Na]+ 366.03252 216.8
[M-H]- 342.03602 221.0
[M+NH4]+ 361.07712 213.8
[M+K]+ 382.00646 222.5
[M+H-H2O]+ 326.04056 206.6
[M+HCOO]- 388.04150 218.7
[M+CH3COO]- 402.05715 265.9
[M+Na-2H]- 364.01797 209.2
[M]+ 343.04275 236.7
[M]- 343.04385 236.7
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.