CID 151042

2-(2-methylphenyl)oxirane

Structural Information

Molecular Formula
C9H10O
SMILES
CC1=CC=CC=C1C2CO2
InChI
InChI=1S/C9H10O/c1-7-4-2-3-5-8(7)9-6-10-9/h2-5,9H,6H2,1H3
InChIKey
AUFMIJGTPFQWAN-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

908
Patents

134.07317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 124.0
[M+Na]+ 157.06239 134.4
[M-H]- 133.06589 132.8
[M+NH4]+ 152.10699 140.1
[M+K]+ 173.03633 133.7
[M+H-H2O]+ 117.07043 117.7
[M+HCOO]- 179.07137 148.4
[M+CH3COO]- 193.08702 176.6
[M+Na-2H]- 155.04784 133.2
[M]+ 134.07262 127.4
[M]- 134.07372 127.4
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.