CID 2756422

3-aminoethyl-1-n-cbz-pyrrolidine

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CN(CC1CCN)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c15-8-6-12-7-9-16(10-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2
InChIKey
ZKELBKKCCWEFAG-UHFFFAOYSA-N
Compound name
benzyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

248.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 159.0
[M+Na]+ 271.141698 163.5
[M-H]- 247.145204 163.1
[M+NH4]+ 266.186303 175.8
[M+K]+ 287.115638 160.7
[M+H-H2O]+ 231.149740 150.7
[M+HCOO]- 293.150681 180.0
[M+CH3COO]- 307.166331 193.3
[M+Na-2H]- 269.127146 160.0
[M]+ 248.15193142 156.5
[M]- 248.15302858 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

patents stripe