CID 40004

2-[(4-methoxyphenyl)methyl]oxirane

Structural Information

Molecular Formula
C10H12O2
SMILES
COC1=CC=C(C=C1)CC2CO2
InChI
InChI=1S/C10H12O2/c1-11-9-4-2-8(3-5-9)6-10-7-12-10/h2-5,10H,6-7H2,1H3
InChIKey
CLOGCPPDCZMWGQ-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

54
Patents

164.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.4
[M+Na]+ 187.07294 142.3
[M-H]- 163.07644 141.1
[M+NH4]+ 182.11754 147.3
[M+K]+ 203.04688 141.7
[M+H-H2O]+ 147.08098 125.7
[M+HCOO]- 209.08192 156.6
[M+CH3COO]- 223.09757 181.4
[M+Na-2H]- 185.05839 140.9
[M]+ 164.08317 137.6
[M]- 164.08427 137.6
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