CID 79978470

2-(3-cyclopropylphenyl)oxirane

Structural Information

Molecular Formula
C11H12O
SMILES
C1CC1C2=CC(=CC=C2)C3CO3
InChI
InChI=1S/C11H12O/c1-2-9(8-4-5-8)6-10(3-1)11-7-12-11/h1-3,6,8,11H,4-5,7H2
InChIKey
HWNZISHQPBUCHJ-UHFFFAOYSA-N
Compound name
2-(3-cyclopropylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 139.5
[M+Na]+ 183.07804 147.7
[M-H]- 159.08154 150.0
[M+NH4]+ 178.12264 147.9
[M+K]+ 199.05198 147.9
[M+H-H2O]+ 143.08608 132.9
[M+HCOO]- 205.08702 160.4
[M+CH3COO]- 219.10267 151.2
[M+Na-2H]- 181.06349 145.5
[M]+ 160.08827 143.4
[M]- 160.08937 143.4
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

No patent data available for this compound.