CID 3087974

1h-imidazole, 4-((6-methyl-4h-1,3-benzodioxin-8-yl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1=CC2=C(C(=C1)CC3=CN=CN3)OCOC2
InChI
InChI=1S/C13H14N2O2/c1-9-2-10(4-12-5-14-7-15-12)13-11(3-9)6-16-8-17-13/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)
InChIKey
OOCGFBYUAJQGFQ-UHFFFAOYSA-N
Compound name
5-[(6-methyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 150.7
[M+Na]+ 253.094748 158.7
[M-H]- 229.098254 155.4
[M+NH4]+ 248.139353 165.3
[M+K]+ 269.068688 156.6
[M+H-H2O]+ 213.102790 142.8
[M+HCOO]- 275.103731 167.5
[M+CH3COO]- 289.119381 162.6
[M+Na-2H]- 251.080196 156.7
[M]+ 230.10498142 150.1
[M]- 230.10607858 150.1
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