CID 3007451

1-[1-(2-sec-butoxyphenyl)vinyl]imidazole

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC(C)OC1=CC=CC=C1C(=C)N2C=CN=C2
InChI
InChI=1S/C15H18N2O/c1-4-12(2)18-15-8-6-5-7-14(15)13(3)17-10-9-16-11-17/h5-12H,3-4H2,1-2H3
InChIKey
UMCWEXRDEMEAQC-UHFFFAOYSA-N
Compound name
1-[1-(2-butan-2-yloxyphenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.1419 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 157.3
[M+Na]+ 265.131118 164.0
[M-H]- 241.134624 161.1
[M+NH4]+ 260.175723 173.6
[M+K]+ 281.105058 160.7
[M+H-H2O]+ 225.139160 148.5
[M+HCOO]- 287.140101 177.9
[M+CH3COO]- 301.155751 194.3
[M+Na-2H]- 263.116566 159.1
[M]+ 242.14135142 158.4
[M]- 242.14244858 158.4
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

No patent data available for this compound.