CID 218252

Verbindungen 332 [german]

Structural Information

Molecular Formula
C13H14N2O
SMILES
CN1C=C(N=C1)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C13H14N2O/c1-3-8-16-12-6-4-11(5-7-12)13-9-15(2)10-14-13/h3-7,9-10H,1,8H2,2H3
InChIKey
AULYSTXCMKKBQQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-prop-2-enoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.4
[M+Na]+ 237.099828 156.6
[M-H]- 213.103334 151.7
[M+NH4]+ 232.144433 165.3
[M+K]+ 253.073768 152.7
[M+H-H2O]+ 197.107870 139.1
[M+HCOO]- 259.108811 170.7
[M+CH3COO]- 273.124461 187.7
[M+Na-2H]- 235.085276 151.9
[M]+ 214.11006142 149.4
[M]- 214.11115858 149.4
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.