CID 3618622

2-(cyclohex-3-en-1-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CC(CC=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H14N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-2,4-5,8-10H,3,6-7H2,(H,14,15)
InChIKey
OAHBJWHRMOTVSW-UHFFFAOYSA-N
Compound name
2-cyclohex-3-en-1-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.7
[M+Na]+ 221.10491 158.3
[M+NH4]+ 216.14951 153.5
[M+K]+ 237.07885 151.7
[M-H]- 197.10841 147.7
[M+Na-2H]- 219.09036 152.6
[M]+ 198.11514 146.9
[M]- 198.11624 146.9
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.