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]+ 205.122316 144.0
[M+Na]+ 227.104258 153.7
[M-H]- 203.107764 151.8
[M+NH4]+ 222.148863 158.8
[M+K]+ 243.078198 150.4
[M+H-H2O]+ 187.112300 137.3
[M+HCOO]- 249.113241 168.4
[M+CH3COO]- 263.128891 190.4
[M+Na-2H]- 225.089706 149.3
[M]+ 204.11449142 149.4
[M]- 204.11558858 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.