CID 177795391

4-(cyclopropylmethoxy)-2-ethylbenzaldehyde

Structural Information

Molecular Formula
C13H16O2
SMILES
CCC1=C(C=CC(=C1)OCC2CC2)C=O
InChI
InChI=1S/C13H16O2/c1-2-11-7-13(6-5-12(11)8-14)15-9-10-3-4-10/h5-8,10H,2-4,9H2,1H3
InChIKey
OEWGHXGCZAUKMV-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethoxy)-2-ethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 144.0
[M+Na]+ 227.10426 153.7
[M-H]- 203.10776 151.8
[M+NH4]+ 222.14886 158.8
[M+K]+ 243.07820 150.4
[M+H-H2O]+ 187.11230 137.3
[M+HCOO]- 249.11324 168.4
[M+CH3COO]- 263.12889 190.4
[M+Na-2H]- 225.08971 149.3
[M]+ 204.11449 149.4
[M]- 204.11559 149.4
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

No patent data available for this compound.