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

823
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

literature stripe

Patent stripe

patents stripe