CID 4620242

276872-86-7

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

C1CN(CC1C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2

InChIKey

GDPSCBPOCONUDM-UHFFFAOYSA-N

Compound name

benzyl 3-formylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 233.1052 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.11248	152.4
[M+Na]+	256.09442	158.5
[M-H]-	232.09792	157.3
[M+NH4]+	251.13902	170.3
[M+K]+	272.06836	156.3
[M+H-H2O]+	216.10246	144.8
[M+HCOO]-	278.10340	173.8
[M+CH3COO]-	292.11905	187.3
[M+Na-2H]-	254.07987	154.6
[M]+	233.10465	152.0
[M]-	233.10575	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe