CID 12634433

Cyclopropyl(3-methoxyphenyl)methanone

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1=CC=CC(=C1)C(=O)C2CC2
InChI
InChI=1S/C11H12O2/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKey
DRJNYGMCZQPJDC-UHFFFAOYSA-N
Compound name
cyclopropyl-(3-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

176.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 135.5
[M+Na]+ 199.072938 144.8
[M-H]- 175.076444 143.3
[M+NH4]+ 194.117543 150.9
[M+K]+ 215.046878 142.5
[M+H-H2O]+ 159.080980 129.0
[M+HCOO]- 221.081921 159.6
[M+CH3COO]- 235.097571 184.3
[M+Na-2H]- 197.058386 141.3
[M]+ 176.08317142 139.1
[M]- 176.08426858 139.1
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