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]+ 191.10666 135.6
[M+Na]+ 213.08860 141.5
[M-H]- 189.09210 142.0
[M+NH4]+ 208.13320 148.8
[M+K]+ 229.06254 142.4
[M+H-H2O]+ 173.09664 124.3
[M+HCOO]- 235.09758 158.2
[M+CH3COO]- 249.11323 186.2
[M+Na-2H]- 211.07405 141.6
[M]+ 190.09883 144.9
[M]- 190.09993 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