CID 155978466

Tert-butyl n-[2-amino-1-(cuban-1-yl)ethyl]carbamate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)NC(CN)C12C3C4C1C5C4C3C25
InChI
InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-5(4-16)15-10-7-6-8(10)12(15)9(6)11(7)15/h5-12H,4,16H2,1-3H3,(H,17,18)
InChIKey
GSKIJFIRNLOASR-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-1-cuban-1-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 233.9
[M+Na]+ 285.15734 231.6
[M-H]- 261.16084 236.7
[M+NH4]+ 280.20194 227.5
[M+K]+ 301.13128 236.9
[M+H-H2O]+ 245.16538 219.1
[M+HCOO]- 307.16632 233.6
[M+CH3COO]- 321.18197 266.7
[M+Na-2H]- 283.14279 225.0
[M]+ 262.16757 252.3
[M]- 262.16867 252.3
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.