CID 58535

2-(4-chloro-2,3-dimethylphenoxymethyl)-2-imidazoline hydrochloride

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC1=C(C=CC(=C1C)Cl)OCC2=NCCN2
InChI
InChI=1S/C12H15ClN2O/c1-8-9(2)11(4-3-10(8)13)16-7-12-14-5-6-15-12/h3-4H,5-7H2,1-2H3,(H,14,15)
InChIKey
JHBPAQDZCZUCKQ-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2,3-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.8
[M+Na]+ 261.07652 162.3
[M-H]- 237.08002 155.6
[M+NH4]+ 256.12112 170.2
[M+K]+ 277.05046 156.8
[M+H-H2O]+ 221.08456 145.4
[M+HCOO]- 283.08550 168.5
[M+CH3COO]- 297.10115 188.2
[M+Na-2H]- 259.06197 155.1
[M]+ 238.08675 154.1
[M]- 238.08785 154.1
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.