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]+ 239.094576 152.8
[M+Na]+ 261.076518 162.3
[M-H]- 237.080024 155.6
[M+NH4]+ 256.121123 170.2
[M+K]+ 277.050458 156.8
[M+H-H2O]+ 221.084560 145.4
[M+HCOO]- 283.085501 168.5
[M+CH3COO]- 297.101151 188.2
[M+Na-2H]- 259.061966 155.1
[M]+ 238.08675142 154.1
[M]- 238.08784858 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.