CID 58027526

3-(cyclobutylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CC(C1)COC2=CC=CC(=C2)C=O
InChI
InChI=1S/C12H14O2/c13-8-11-5-2-6-12(7-11)14-9-10-3-1-4-10/h2,5-8,10H,1,3-4,9H2
InChIKey
IICVGWFEIFIMDC-UHFFFAOYSA-N
Compound name
3-(cyclobutylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

190.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 135.6
[M+Na]+ 213.088598 141.5
[M-H]- 189.092104 142.0
[M+NH4]+ 208.133203 148.8
[M+K]+ 229.062538 142.4
[M+H-H2O]+ 173.096640 124.3
[M+HCOO]- 235.097581 158.2
[M+CH3COO]- 249.113231 186.2
[M+Na-2H]- 211.074046 141.6
[M]+ 190.09883142 144.9
[M]- 190.09992858 144.9
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