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

1
Patents

198.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.4
[M+Na]+ 221.104908 150.5
[M-H]- 197.108414 145.9
[M+NH4]+ 216.149513 160.9
[M+K]+ 237.078848 145.1
[M+H-H2O]+ 181.112950 134.3
[M+HCOO]- 243.113891 162.3
[M+CH3COO]- 257.129541 154.7
[M+Na-2H]- 219.090356 149.1
[M]+ 198.11514142 138.9
[M]- 198.11623858 138.9
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

patents stripe