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]+ 267.089476 160.2
[M+Na]+ 289.071418 168.0
[M-H]- 265.074924 165.5
[M+NH4]+ 284.116023 177.8
[M+K]+ 305.045358 163.2
[M+H-H2O]+ 249.079460 153.3
[M+HCOO]- 311.080401 177.7
[M+CH3COO]- 325.096051 196.9
[M+Na-2H]- 287.056866 160.8
[M]+ 266.08165142 160.6
[M]- 266.08274858 160.6
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.