CID 424729

2-((4-indanyloxy)methyl)-2-imidazoline hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CC2=C(C1)C(=CC=C2)OCC3=NCCN3
InChI
InChI=1S/C13H16N2O/c1-3-10-4-2-6-12(11(10)5-1)16-9-13-14-7-8-15-13/h2,4,6H,1,3,5,7-9H2,(H,14,15)
InChIKey
SVVDDHVVPCOPQI-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-4-yloxymethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.7
[M+Na]+ 239.11549 155.3
[M-H]- 215.11899 152.0
[M+NH4]+ 234.16009 168.0
[M+K]+ 255.08943 151.4
[M+H-H2O]+ 199.12353 140.8
[M+HCOO]- 261.12447 168.1
[M+CH3COO]- 275.14012 160.4
[M+Na-2H]- 237.10094 151.5
[M]+ 216.12572 146.0
[M]- 216.12682 146.0
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