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

78
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

No literature data available for this compound.

Patent stripe

patents stripe