CID 3152721

4-(cyclopentyloxy)-3-methoxybenzaldehyde

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

58
Patents

220.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 148.1
[M+Na]+ 243.099158 155.0
[M-H]- 219.102664 154.7
[M+NH4]+ 238.143763 168.2
[M+K]+ 259.073098 153.0
[M+H-H2O]+ 203.107200 141.6
[M+HCOO]- 265.108141 171.6
[M+CH3COO]- 279.123791 187.1
[M+Na-2H]- 241.084606 150.9
[M]+ 220.10939142 149.1
[M]- 220.11048858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe