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]+ 219.14918 150.6
[M+Na]+ 241.13112 157.0
[M-H]- 217.13462 152.7
[M+NH4]+ 236.17572 167.3
[M+K]+ 257.10506 153.1
[M+H-H2O]+ 201.13916 142.1
[M+HCOO]- 263.14010 170.7
[M+CH3COO]- 277.15575 185.2
[M+Na-2H]- 239.11657 154.4
[M]+ 218.14135 149.6
[M]- 218.14245 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.