CID 14957839

1-[2-(cyclopropylmethoxy)phenyl]ethanone

Structural Information

Molecular Formula
C12H14O2
SMILES
CC(=O)C1=CC=CC=C1OCC2CC2
InChI
InChI=1S/C12H14O2/c1-9(13)11-4-2-3-5-12(11)14-8-10-6-7-10/h2-5,10H,6-8H2,1H3
InChIKey
MILYAWMTBZWKJO-UHFFFAOYSA-N
Compound name
1-[2-(cyclopropylmethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 139.8
[M+Na]+ 213.08860 148.7
[M-H]- 189.09210 147.4
[M+NH4]+ 208.13320 154.7
[M+K]+ 229.06254 146.2
[M+H-H2O]+ 173.09664 133.1
[M+HCOO]- 235.09758 163.6
[M+CH3COO]- 249.11323 187.2
[M+Na-2H]- 211.07405 145.1
[M]+ 190.09883 143.8
[M]- 190.09993 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

No patent data available for this compound.