CID 45792693

1208530-70-4

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-7-9-5-4-6-10(8-11)14-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKey
HWPHWBRCRWNTLX-UHFFFAOYSA-N
Compound name
tert-butyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

240.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 158.7
[M+Na]+ 263.17300 161.2
[M-H]- 239.17650 157.3
[M+NH4]+ 258.21760 175.5
[M+K]+ 279.14694 159.1
[M+H-H2O]+ 223.18104 152.7
[M+HCOO]- 285.18198 170.6
[M+CH3COO]- 299.19763 192.5
[M+Na-2H]- 261.15845 163.0
[M]+ 240.18323 152.8
[M]- 240.18433 152.8
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