CID 49835

2-((2,3-dimethylphenoxy)methyl)-2-imidazoline hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C(C(=CC=C1)OCC2=NCCN2)C
InChI
InChI=1S/C12H16N2O/c1-9-4-3-5-11(10(9)2)15-8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKey
WAAAGQHQBWTGTM-UHFFFAOYSA-N
Compound name
2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

204.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.1
[M+Na]+ 227.11549 153.9
[M-H]- 203.11899 148.9
[M+NH4]+ 222.16009 163.7
[M+K]+ 243.08943 150.3
[M+H-H2O]+ 187.12353 138.2
[M+HCOO]- 249.12447 166.6
[M+CH3COO]- 263.14012 183.3
[M+Na-2H]- 225.10094 149.7
[M]+ 204.12572 145.2
[M]- 204.12682 145.2
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

patents stripe