CID 61238778

Tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)NC3CC3
InChI
InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-12-6-7-13(17)9-11(8-12)16-10-4-5-10/h10-13,16H,4-9H2,1-3H3
InChIKey
POKNUFLZKRIQBD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.20671 166.5
[M+Na]+ 289.18865 172.5
[M-H]- 265.19215 170.9
[M+NH4]+ 284.23325 180.2
[M+K]+ 305.16259 168.7
[M+H-H2O]+ 249.19669 160.5
[M+HCOO]- 311.19763 181.5
[M+CH3COO]- 325.21328 202.7
[M+Na-2H]- 287.17410 168.4
[M]+ 266.19888 167.0
[M]- 266.19998 167.0
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

No patent data available for this compound.