CID 12257263

1-(1-phenylcyclopropyl)ethan-1-one

Structural Information

Molecular Formula
C11H12O
SMILES
CC(=O)C1(CC1)C2=CC=CC=C2
InChI
InChI=1S/C11H12O/c1-9(12)11(7-8-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey
DNHJMKJKWIOTNT-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

160.08882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 133.3
[M+Na]+ 183.07804 142.5
[M-H]- 159.08154 141.2
[M+NH4]+ 178.12264 151.0
[M+K]+ 199.05198 140.9
[M+H-H2O]+ 143.08608 127.7
[M+HCOO]- 205.08702 156.9
[M+CH3COO]- 219.10267 180.9
[M+Na-2H]- 181.06349 140.8
[M]+ 160.08827 135.5
[M]- 160.08937 135.5
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