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

89
Patents

160.08882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 131.4
[M+Na]+ 183.078038 140.8
[M-H]- 159.081544 139.2
[M+NH4]+ 178.122643 147.5
[M+K]+ 199.051978 138.2
[M+H-H2O]+ 143.086080 125.0
[M+HCOO]- 205.087021 155.3
[M+CH3COO]- 219.102671 182.4
[M+Na-2H]- 181.063486 137.4
[M]+ 160.08827142 133.6
[M]- 160.08936858 133.6
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