CID 86628056

3-(3-methyloxetan-3-yl)benzaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1(COC1)C2=CC=CC(=C2)C=O
InChI
InChI=1S/C11H12O2/c1-11(7-13-8-11)10-4-2-3-9(5-10)6-12/h2-6H,7-8H2,1H3
InChIKey
SPXWZYTWGLZISV-UHFFFAOYSA-N
Compound name
3-(3-methyloxetan-3-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

176.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 131.1
[M+Na]+ 199.072938 138.4
[M-H]- 175.076444 138.8
[M+NH4]+ 194.117543 145.7
[M+K]+ 215.046878 140.7
[M+H-H2O]+ 159.080980 121.2
[M+HCOO]- 221.081921 153.2
[M+CH3COO]- 235.097571 182.7
[M+Na-2H]- 197.058386 139.6
[M]+ 176.08317142 141.0
[M]- 176.08426858 141.0
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.