CID 137944337

Tert-butyl 6-(aminomethyl)-1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC12CC(C2)CN
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-5-4-12(14)6-9(7-12)8-13/h9H,4-8,13H2,1-3H3
InChIKey
JXPOTFXTPKCHHT-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.4
[M+Na]+ 249.15734 157.0
[M-H]- 225.16084 157.6
[M+NH4]+ 244.20194 159.9
[M+K]+ 265.13128 161.9
[M+H-H2O]+ 209.16538 139.8
[M+HCOO]- 271.16632 168.7
[M+CH3COO]- 285.18197 202.7
[M+Na-2H]- 247.14279 156.7
[M]+ 226.16757 169.1
[M]- 226.16867 169.1
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.