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

37
Patents

204.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.1
[M+Na]+ 227.115488 153.9
[M-H]- 203.118994 148.9
[M+NH4]+ 222.160093 163.7
[M+K]+ 243.089428 150.3
[M+H-H2O]+ 187.123530 138.2
[M+HCOO]- 249.124471 166.6
[M+CH3COO]- 263.140121 183.3
[M+Na-2H]- 225.100936 149.7
[M]+ 204.12572142 145.2
[M]- 204.12681858 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