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

17
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 147.0
[M+Na]+ 227.11549 159.7
[M+NH4]+ 222.16009 155.1
[M+K]+ 243.08943 154.7
[M-H]- 203.11899 149.4
[M+Na-2H]- 225.10094 154.0
[M]+ 204.12572 149.4
[M]- 204.12682 149.4
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