CID 71112214

Tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC1(CCC(N1C(=O)OC(C)(C)C)CN)C
InChI
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9(8-13)6-7-12(14,4)5/h9H,6-8,13H2,1-5H3
InChIKey
WEVUWHRKMLMMGE-UHFFFAOYSA-N
Compound name
tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

228.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 154.9
[M+Na]+ 251.17300 161.4
[M-H]- 227.17650 156.7
[M+NH4]+ 246.21760 175.6
[M+K]+ 267.14694 160.6
[M+H-H2O]+ 211.18104 150.3
[M+HCOO]- 273.18198 173.6
[M+CH3COO]- 287.19763 192.3
[M+Na-2H]- 249.15845 156.5
[M]+ 228.18323 154.5
[M]- 228.18433 154.5
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