CID 383859

Nsc672601

Structural Information

Molecular Formula
C11H10N2
SMILES
C1=C(C=NN1)C23C4C5C2C6C5C4C36
InChI
InChI=1S/C11H10N2/c1-3(2-13-12-1)11-8-5-4-6(8)10(11)7(4)9(5)11/h1-2,4-10H,(H,12,13)
InChIKey
LGHLSFXNRSVCLU-UHFFFAOYSA-N
Compound name
4-cuban-1-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0844 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 198.4
[M+Na]+ 193.07362 199.8
[M-H]- 169.07712 202.4
[M+NH4]+ 188.11822 194.2
[M+K]+ 209.04756 203.4
[M+H-H2O]+ 153.08166 186.5
[M+HCOO]- 215.08260 200.5
[M+CH3COO]- 229.09825 259.0
[M+Na-2H]- 191.05907 193.7
[M]+ 170.08385 217.8
[M]- 170.08495 217.8
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.