CID 218250

Verbindungen 331 [german]

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCCOC1=CC=C(C=C1)C2=CN(C=N2)C
InChI
InChI=1S/C13H16N2O/c1-3-8-16-12-6-4-11(5-7-12)13-9-15(2)10-14-13/h4-7,9-10H,3,8H2,1-2H3
InChIKey
QDBHVOFNAVWYSR-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-propoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.5
[M+Na]+ 239.11549 163.5
[M+NH4]+ 234.16009 157.8
[M+K]+ 255.08943 157.7
[M-H]- 215.11899 152.6
[M+Na-2H]- 237.10094 157.8
[M]+ 216.12572 152.4
[M]- 216.12682 152.4
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.