CID 58640225

1-phenylpyrrolidine-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

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

InChI

InChI=1S/C11H13NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2

InChIKey

TYHMTEXVWMSVFT-UHFFFAOYSA-N

Compound name

1-phenylpyrrolidine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.09972 Da
Monoisotopic Mass: 1.6
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]+	176.10700	139.1
[M+Na]+	198.08894	151.6
[M+NH4]+	193.13354	148.2
[M+K]+	214.06288	146.0
[M-H]-	174.09244	142.5
[M+Na-2H]-	196.07439	146.6
[M]+	175.09917	141.7
[M]-	175.10027	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe