CID 82618605

Tert-butyl 3-(3-aminopropyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CCCN
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-10(9-14)5-4-7-13/h10H,4-9,13H2,1-3H3
InChIKey
QHFDBFBPGIHVQR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminopropyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 157.9
[M+Na]+ 251.17300 162.5
[M-H]- 227.17650 158.9
[M+NH4]+ 246.21760 176.2
[M+K]+ 267.14694 161.4
[M+H-H2O]+ 211.18104 151.6
[M+HCOO]- 273.18198 176.5
[M+CH3COO]- 287.19763 191.5
[M+Na-2H]- 249.15845 158.5
[M]+ 228.18323 156.6
[M]- 228.18433 156.6
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.