CID 3152721

197573-17-4

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

COC1=C(C=CC(=C1)C=O)OC2CCCC2

InChI

InChI=1S/C13H16O3/c1-15-13-8-10(9-14)6-7-12(13)16-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3

InChIKey

UMIUDSWQJWYRLW-UHFFFAOYSA-N

Compound name

4-cyclopentyloxy-3-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 220.10994 Da
Monoisotopic Mass: 2.6
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]+	221.11722	149.5
[M+Na]+	243.09916	161.2
[M+NH4]+	238.14376	158.0
[M+K]+	259.07310	156.3
[M-H]-	219.10266	152.7
[M+Na-2H]-	241.08461	155.9
[M]+	220.10939	152.0
[M]-	220.11049	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe