CID 77808157

1824240-24-5

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CCC1CCN(C1CN)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-5-9-6-7-14(10(9)8-13)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKey
YRHDPCNFAKDAJP-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-3-ethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.191056 157.4
[M+Na]+ 251.172998 162.9
[M-H]- 227.176504 158.8
[M+NH4]+ 246.217603 176.0
[M+K]+ 267.146938 161.9
[M+H-H2O]+ 211.181040 151.5
[M+HCOO]- 273.181981 175.9
[M+CH3COO]- 287.197631 192.7
[M+Na-2H]- 249.158446 157.4
[M]+ 228.18323142 156.5
[M]- 228.18432858 156.5
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

No patent data available for this compound.