CID 2106885

58028-74-3

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CCN(C1)C2=CC=CC=C2C=O

InChI

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

InChIKey

QJHUKBIDTDKVSL-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 175.09972 Da
Monoisotopic Mass: 2.0
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

literature stripe

Patent stripe

patents stripe