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

103
Patents

240.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.191056 160.5
[M+Na]+ 263.172998 163.2
[M-H]- 239.176504 155.9
[M+NH4]+ 258.217603 185.4
[M+K]+ 279.146938 161.7
[M+H-H2O]+ 223.181040 156.6
[M+HCOO]- 285.181981 170.2
[M+CH3COO]- 299.197631 199.3
[M+Na-2H]- 261.158446 172.0
[M]+ 240.18323142 160.0
[M]- 240.18432858 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