CID 122164280

Tert-butyl 6-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC(O2)CN
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-12(8-14)5-4-9(6-13)16-12/h9H,4-8,13H2,1-3H3
InChIKey
LDLGEBQAVINBNL-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-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 155.7
[M+Na]+ 265.152258 159.4
[M-H]- 241.155764 159.7
[M+NH4]+ 260.196863 167.8
[M+K]+ 281.126198 162.8
[M+H-H2O]+ 225.160300 145.7
[M+HCOO]- 287.161241 171.6
[M+CH3COO]- 301.176891 194.8
[M+Na-2H]- 263.137706 158.7
[M]+ 242.16249142 163.2
[M]- 242.16358858 163.2
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.