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]+ 263.139016 159.7
[M+Na]+ 285.120958 166.1
[M-H]- 261.124464 165.1
[M+NH4]+ 280.165563 176.5
[M+K]+ 301.094898 163.6
[M+H-H2O]+ 245.129000 151.9
[M+HCOO]- 307.129941 181.7
[M+CH3COO]- 321.145591 198.3
[M+Na-2H]- 283.106406 160.5
[M]+ 262.13119142 159.8
[M]- 262.13228858 159.8
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.