CID 12454232

2-cyclopropyl-2-phenyloxirane

Structural Information

Molecular Formula
C11H12O
SMILES
C1CC1C2(CO2)C3=CC=CC=C3
InChI
InChI=1S/C11H12O/c1-2-4-9(5-3-1)11(8-12-11)10-6-7-10/h1-5,10H,6-8H2
InChIKey
KJMQMBUSCGXMKG-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-phenyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 141.4
[M+Na]+ 183.07804 149.3
[M-H]- 159.08154 152.0
[M+NH4]+ 178.12264 151.2
[M+K]+ 199.05198 151.2
[M+H-H2O]+ 143.08608 135.6
[M+HCOO]- 205.08702 161.7
[M+CH3COO]- 219.10267 153.1
[M+Na-2H]- 181.06349 148.6
[M]+ 160.08827 145.4
[M]- 160.08937 145.4
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

patents stripe