CID 6421522

Proxyfan

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1=CC=C(C=C1)COCCCC2=CN=CN2
InChI
InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
InChIKey
WNWALBVQAAIULR-UHFFFAOYSA-N
Compound name
5-(3-phenylmethoxypropyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

908
Patents

216.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.7
[M+Na]+ 239.115488 155.2
[M-H]- 215.118994 150.8
[M+NH4]+ 234.160093 165.2
[M+K]+ 255.089428 151.1
[M+H-H2O]+ 199.123530 140.0
[M+HCOO]- 261.124471 170.3
[M+CH3COO]- 275.140121 183.8
[M+Na-2H]- 237.100936 154.3
[M]+ 216.12572142 148.7
[M]- 216.12681858 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe