CID 2735893

3-(cyclopentyloxy)-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C13H16O3
SMILES
COC1=C(C=C(C=C1)C=O)OC2CCCC2
InChI
InChI=1S/C13H16O3/c1-15-12-7-6-10(9-14)8-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3
InChIKey
FZFWPURYSWKIRT-UHFFFAOYSA-N
Compound name
3-cyclopentyloxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

905
Patents

220.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 148.1
[M+Na]+ 243.09916 155.0
[M-H]- 219.10266 154.7
[M+NH4]+ 238.14376 168.2
[M+K]+ 259.07310 153.0
[M+H-H2O]+ 203.10720 141.6
[M+HCOO]- 265.10814 171.6
[M+CH3COO]- 279.12379 187.1
[M+Na-2H]- 241.08461 150.9
[M]+ 220.10939 149.1
[M]- 220.11049 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

literature stripe

Patent stripe

patents stripe