CID 383858

Nsc672600

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0844 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.091676 195.9
[M+Na]+ 193.073618 197.4
[M-H]- 169.077124 200.2
[M+NH4]+ 188.118223 191.9
[M+K]+ 209.047558 201.2
[M+H-H2O]+ 153.081660 184.1
[M+HCOO]- 215.082601 198.5
[M+CH3COO]- 229.098251 259.7
[M+Na-2H]- 191.059066 191.5
[M]+ 170.08385142 215.8
[M]- 170.08494858 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.