CID 383856

Nsc672598

Structural Information

Molecular Formula
C10H9N3
SMILES
C1=NN(C=N1)C23C4C5C2C6C5C4C36
InChI
InChI=1S/C10H9N3/c1-11-2-13(12-1)10-7-4-3-5(7)9(10)6(3)8(4)10/h1-9H
InChIKey
RRNLBIYRVBRAKL-UHFFFAOYSA-N
Compound name
1-cuban-1-yl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.07965 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 196.7
[M+Na]+ 194.068868 198.3
[M-H]- 170.072374 200.5
[M+NH4]+ 189.113473 192.4
[M+K]+ 210.042808 202.3
[M+H-H2O]+ 154.076910 184.6
[M+HCOO]- 216.077851 199.0
[M+CH3COO]- 230.093501 259.6
[M+Na-2H]- 192.054316 192.3
[M]+ 171.07910142 216.6
[M]- 171.08019858 216.6
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.