CID 61079529

1-cyclopropyl-2-(3-methoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C12H14O2
SMILES
COC1=CC=CC(=C1)CC(=O)C2CC2
InChI
InChI=1S/C12H14O2/c1-14-11-4-2-3-9(7-11)8-12(13)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3
InChIKey
HTXAACPNDIKMJJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-(3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.8
[M+Na]+ 213.088598 148.7
[M-H]- 189.092104 147.4
[M+NH4]+ 208.133203 154.7
[M+K]+ 229.062538 146.2
[M+H-H2O]+ 173.096640 133.1
[M+HCOO]- 235.097581 163.6
[M+CH3COO]- 249.113231 187.2
[M+Na-2H]- 211.074046 145.1
[M]+ 190.09883142 143.8
[M]- 190.09992858 143.8
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