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

4
Patents

216.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.7
[M+Na]+ 239.115488 155.3
[M-H]- 215.118994 152.0
[M+NH4]+ 234.160093 168.0
[M+K]+ 255.089428 151.4
[M+H-H2O]+ 199.123530 140.8
[M+HCOO]- 261.124471 168.1
[M+CH3COO]- 275.140121 160.4
[M+Na-2H]- 237.100936 151.5
[M]+ 216.12572142 146.0
[M]- 216.12681858 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