CID 263692

1-(4-cyclopropylphenyl)ethanone

Structural Information

Molecular Formula
C11H12O
SMILES
CC(=O)C1=CC=C(C=C1)C2CC2
InChI
InChI=1S/C11H12O/c1-8(12)9-2-4-10(5-3-9)11-6-7-11/h2-5,11H,6-7H2,1H3
InChIKey
SWHHCKFQUJBPPQ-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

102
Patents

160.08882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 135.5
[M+Na]+ 183.07804 150.2
[M+NH4]+ 178.12264 145.5
[M+K]+ 199.05198 144.7
[M-H]- 159.08154 146.1
[M+Na-2H]- 181.06349 146.2
[M]+ 160.08827 141.8
[M]- 160.08937 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe