CID 177787502

Tert-butyl (3r)-3-(3-aminopropoxy)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)OCCCN
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-5-10(9-14)16-8-4-6-13/h10H,4-9,13H2,1-3H3/t10-/m1/s1
InChIKey
LVCAMIAOSZZQPW-SNVBAGLBSA-N
Compound name
tert-butyl (3R)-3-(3-aminopropoxy)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 160.5
[M+Na]+ 267.16792 164.9
[M-H]- 243.17142 161.4
[M+NH4]+ 262.21252 178.0
[M+K]+ 283.14186 164.4
[M+H-H2O]+ 227.17596 154.0
[M+HCOO]- 289.17690 179.2
[M+CH3COO]- 303.19255 193.6
[M+Na-2H]- 265.15337 161.2
[M]+ 244.17815 160.6
[M]- 244.17925 160.6
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.