CID 131632028

1-[(benzyloxy)carbonyl]-4-methoxy-2-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC1(CC(CN1C(=O)OCC2=CC=CC=C2)OC)C(=O)O
InChI
InChI=1S/C15H19NO5/c1-15(13(17)18)8-12(20-2)9-16(15)14(19)21-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKey
UQFACOHOWNNHCO-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 167.4
[M+Na]+ 316.11552 176.2
[M+NH4]+ 311.16012 174.0
[M+K]+ 332.08946 172.5
[M-H]- 292.11902 167.3
[M+Na-2H]- 314.10097 172.1
[M]+ 293.12575 168.3
[M]- 293.12685 168.3
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.