CID 549679

1-cyclopropyl-2-phenylethan-1-one

Structural Information

Molecular Formula
C11H12O
SMILES
C1CC1C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H12O/c12-11(10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
RXZJHESCHPMWEK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

160.08882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 132.1
[M+Na]+ 183.078038 140.6
[M-H]- 159.081544 139.6
[M+NH4]+ 178.122643 147.9
[M+K]+ 199.051978 138.1
[M+H-H2O]+ 143.086080 125.5
[M+HCOO]- 205.087021 156.1
[M+CH3COO]- 219.102671 181.4
[M+Na-2H]- 181.063486 138.7
[M]+ 160.08827142 133.9
[M]- 160.08936858 133.9
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