CID 91800899

1630906-54-5

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)N
InChI
InChI=1S/C13H24N2O2/c1-11(2,3)17-10(16)15-13-7-4-12(14,5-8-13)6-9-13/h4-9,14H2,1-3H3,(H,15,16)
InChIKey
GRVKFPSOHUZDAY-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

240.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 160.5
[M+Na]+ 263.17300 163.2
[M-H]- 239.17650 155.9
[M+NH4]+ 258.21760 185.4
[M+K]+ 279.14694 161.7
[M+H-H2O]+ 223.18104 156.6
[M+HCOO]- 285.18198 170.2
[M+CH3COO]- 299.19763 199.3
[M+Na-2H]- 261.15845 172.0
[M]+ 240.18323 160.0
[M]- 240.18433 160.0
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

patents stripe