CID 976844

26116-47-2

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H17NO2/c15-11-12-3-5-13(6-4-12)16-10-9-14-7-1-2-8-14/h3-6,11H,1-2,7-10H2

InChIKey

BBPDRNOYMGEXQX-UHFFFAOYSA-N

Compound name

4-(2-pyrrolidin-1-ylethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 219.12593 Da
Monoisotopic Mass: 1.9
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]+	220.13321	151.3
[M+Na]+	242.11515	162.8
[M+NH4]+	237.15975	159.4
[M+K]+	258.08909	157.4
[M-H]-	218.11865	154.0
[M+Na-2H]-	240.10060	157.8
[M]+	219.12538	153.5
[M]-	219.12648	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe