CID 5744405

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

Structural Information

Molecular Formula
C14H18N2O3
SMILES
COC1=CC=C(C=C1)CN2C(CCC2=N)C(=O)OC
InChI
InChI=1S/C14H18N2O3/c1-18-11-5-3-10(4-6-11)9-16-12(14(17)19-2)7-8-13(16)15/h3-6,12,15H,7-9H2,1-2H3
InChIKey
ZVWONSIDVNMDCO-UHFFFAOYSA-N
Compound name
methyl 5-imino-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.2
[M+Na]+ 285.12096 171.1
[M+NH4]+ 280.16556 167.6
[M+K]+ 301.09490 167.6
[M-H]- 261.12446 163.3
[M+Na-2H]- 283.10641 165.8
[M]+ 262.13119 162.8
[M]- 262.13229 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.