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 142.4
[M+Na]+ 221.10491 150.5
[M-H]- 197.10841 145.9
[M+NH4]+ 216.14951 160.9
[M+K]+ 237.07885 145.1
[M+H-H2O]+ 181.11295 134.3
[M+HCOO]- 243.11389 162.3
[M+CH3COO]- 257.12954 154.7
[M+Na-2H]- 219.09036 149.1
[M]+ 198.11514 138.9
[M]- 198.11624 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