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

25
Patents

190.09938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 137.6
[M+Na]+ 213.08860 144.4
[M-H]- 189.09210 144.5
[M+NH4]+ 208.13320 152.8
[M+K]+ 229.06254 145.4
[M+H-H2O]+ 173.09664 127.3
[M+HCOO]- 235.09758 160.2
[M+CH3COO]- 249.11323 185.7
[M+Na-2H]- 211.07405 144.5
[M]+ 190.09883 147.3
[M]- 190.09993 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