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

20
Patents

248.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.0
[M+Na]+ 271.14170 163.5
[M-H]- 247.14520 163.1
[M+NH4]+ 266.18630 175.8
[M+K]+ 287.11564 160.7
[M+H-H2O]+ 231.14974 150.7
[M+HCOO]- 293.15068 180.0
[M+CH3COO]- 307.16633 193.3
[M+Na-2H]- 269.12715 160.0
[M]+ 248.15193 156.5
[M]- 248.15303 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