CID 5744403

1-(p-chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
COC(=O)C1CCC(=N)N1CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H15ClN2O2/c1-18-13(17)11-6-7-12(15)16(11)8-9-2-4-10(14)5-3-9/h2-5,11,15H,6-8H2,1H3
InChIKey
JBQYSDBLEFOIGV-UHFFFAOYSA-N
Compound name
methyl 1-[(4-chlorophenyl)methyl]-5-iminopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0822 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 159.0
[M+Na]+ 289.07142 170.5
[M+NH4]+ 284.11602 166.5
[M+K]+ 305.04536 165.8
[M-H]- 265.07492 161.7
[M+Na-2H]- 287.05687 164.5
[M]+ 266.08165 161.4
[M]- 266.08275 161.4
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.

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No patent data available for this compound.