CID 14267777

61350-66-1

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)CCl
InChI
InChI=1S/C13H16ClNO2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKey
GWLBVPAKNFVYLA-LBPRGKRZSA-N
Compound name
benzyl (2S)-2-(chloromethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 156.5
[M+Na]+ 276.07618 168.5
[M+NH4]+ 271.12078 164.8
[M+K]+ 292.05012 163.0
[M-H]- 252.07968 159.0
[M+Na-2H]- 274.06163 162.8
[M]+ 253.08641 159.0
[M]- 253.08751 159.0
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.