CID 86093750

4-(1-methoxycyclobutyl)benzaldehyde

Structural Information

Molecular Formula
C12H14O2
SMILES
COC1(CCC1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C12H14O2/c1-14-12(7-2-8-12)11-5-3-10(9-13)4-6-11/h3-6,9H,2,7-8H2,1H3
InChIKey
FPOAZLRMLUPXAP-UHFFFAOYSA-N
Compound name
4-(1-methoxycyclobutyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

190.09938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 137.6
[M+Na]+ 213.088598 144.4
[M-H]- 189.092104 144.5
[M+NH4]+ 208.133203 152.8
[M+K]+ 229.062538 145.4
[M+H-H2O]+ 173.096640 127.3
[M+HCOO]- 235.097581 160.2
[M+CH3COO]- 249.113231 185.7
[M+Na-2H]- 211.074046 144.5
[M]+ 190.09883142 147.3
[M]- 190.09992858 147.3
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