CID 383853

Nsc672595

Structural Information

Molecular Formula
C11H10N2
SMILES
C1=CN(C=N1)C23C4C5C2C6C5C4C36
InChI
InChI=1S/C11H10N2/c1-2-13(3-12-1)11-8-5-4-6(8)10(11)7(4)9(5)11/h1-10H
InChIKey
KFEMNBRDYUWMCE-UHFFFAOYSA-N
Compound name
1-cuban-1-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0844 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 195.9
[M+Na]+ 193.07362 197.4
[M-H]- 169.07712 200.2
[M+NH4]+ 188.11822 191.9
[M+K]+ 209.04756 201.2
[M+H-H2O]+ 153.08166 184.1
[M+HCOO]- 215.08260 198.5
[M+CH3COO]- 229.09825 259.7
[M+Na-2H]- 191.05907 191.5
[M]+ 170.08385 215.8
[M]- 170.08495 215.8
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.