CID 36386

2-(alpha-propoxybenzyl)-2-imidazoline-

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCOC(C1=CC=CC=C1)C2=NCCN2
InChI
InChI=1S/C13H18N2O/c1-2-10-16-12(13-14-8-9-15-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,15)
InChIKey
QNGDOQFAQQYFNF-UHFFFAOYSA-N
Compound name
2-[phenyl(propoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.1
[M+Na]+ 241.13112 156.2
[M-H]- 217.13462 152.9
[M+NH4]+ 236.17572 167.3
[M+K]+ 257.10506 152.8
[M+H-H2O]+ 201.13916 142.4
[M+HCOO]- 263.14010 170.2
[M+CH3COO]- 277.15575 184.9
[M+Na-2H]- 239.11657 154.4
[M]+ 218.14135 149.0
[M]- 218.14245 149.0
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

No patent data available for this compound.