CID 218244

Verbindungen 328 [german]

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCCCN1C=C(N=C1)C2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C15H18N2O2/c1-3-4-9-17-10-15(16-11-17)13-5-7-14(8-6-13)19-12(2)18/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey
WHGJJHLXEXZGDO-UHFFFAOYSA-N
Compound name
[4-(1-butylimidazol-4-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 160.2
[M+Na]+ 281.12606 168.2
[M-H]- 257.12956 164.4
[M+NH4]+ 276.17066 176.3
[M+K]+ 297.10000 164.9
[M+H-H2O]+ 241.13410 151.5
[M+HCOO]- 303.13504 182.1
[M+CH3COO]- 317.15069 195.9
[M+Na-2H]- 279.11151 162.5
[M]+ 258.13629 163.7
[M]- 258.13739 163.7
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.