CID 155603

2-[(4-methylphenyl)methyl]oxirane

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=CC=C(C=C1)CC2CO2
InChI
InChI=1S/C10H12O/c1-8-2-4-9(5-3-8)6-10-7-11-10/h2-5,10H,6-7H2,1H3
InChIKey
OAVRAFVFWOJGJO-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

148.08882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 128.4
[M+Na]+ 171.078038 138.4
[M-H]- 147.081544 137.0
[M+NH4]+ 166.122643 144.0
[M+K]+ 187.051978 137.4
[M+H-H2O]+ 131.086080 121.9
[M+HCOO]- 193.087021 152.4
[M+CH3COO]- 207.102671 179.5
[M+Na-2H]- 169.063486 137.0
[M]+ 148.08827142 132.2
[M]- 148.08936858 132.2
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