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]+ 231.11281 150.7
[M+Na]+ 253.09475 158.7
[M-H]- 229.09825 155.4
[M+NH4]+ 248.13935 165.3
[M+K]+ 269.06869 156.6
[M+H-H2O]+ 213.10279 142.8
[M+HCOO]- 275.10373 167.5
[M+CH3COO]- 289.11938 162.6
[M+Na-2H]- 251.08020 156.7
[M]+ 230.10498 150.1
[M]- 230.10608 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