CID 14267777

Refchem:436526

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]+ 254.094236 157.8
[M+Na]+ 276.076178 164.4
[M-H]- 252.079684 162.4
[M+NH4]+ 271.120783 175.8
[M+K]+ 292.050118 160.3
[M+H-H2O]+ 236.084220 150.5
[M+HCOO]- 298.085161 174.0
[M+CH3COO]- 312.100811 189.8
[M+Na-2H]- 274.061626 159.2
[M]+ 253.08641142 158.6
[M]- 253.08750858 158.6
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.