CID 3576651

2-(2-butoxyphenyl)-4,5-dihydro-1h-imidazol-1-ium bromide

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCCOC1=CC=CC=C1C2=NCCN2
InChI
InChI=1S/C13H18N2O/c1-2-3-10-16-12-7-5-4-6-11(12)13-14-8-9-15-13/h4-7H,2-3,8-10H2,1H3,(H,14,15)
InChIKey
LKMMBEGBFNVKLG-UHFFFAOYSA-N
Compound name
2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.6
[M+Na]+ 241.131118 157.0
[M-H]- 217.134624 152.7
[M+NH4]+ 236.175723 167.3
[M+K]+ 257.105058 153.1
[M+H-H2O]+ 201.139160 142.1
[M+HCOO]- 263.140101 170.7
[M+CH3COO]- 277.155751 185.2
[M+Na-2H]- 239.116566 154.4
[M]+ 218.14135142 149.6
[M]- 218.14244858 149.6
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.