CID 165791810

2825006-13-9

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(CC1CCO2)CN
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-8-12(7-13)6-9(14)4-5-16-12/h9H,4-8,13H2,1-3H3
InChIKey
JNJLRLRONFQGTO-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-2-oxa-6-azabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 157.5
[M+Na]+ 265.152258 162.8
[M-H]- 241.155764 158.5
[M+NH4]+ 260.196863 177.4
[M+K]+ 281.126198 162.9
[M+H-H2O]+ 225.160300 152.8
[M+HCOO]- 287.161241 172.1
[M+CH3COO]- 301.176891 192.6
[M+Na-2H]- 263.137706 162.6
[M]+ 242.16249142 156.7
[M]- 242.16358858 156.7
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.