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

44
Patents

240.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.191056 158.7
[M+Na]+ 263.172998 161.2
[M-H]- 239.176504 157.3
[M+NH4]+ 258.217603 175.5
[M+K]+ 279.146938 159.1
[M+H-H2O]+ 223.181040 152.7
[M+HCOO]- 285.181981 170.6
[M+CH3COO]- 299.197631 192.5
[M+Na-2H]- 261.158446 163.0
[M]+ 240.18323142 152.8
[M]- 240.18432858 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