CID 11159621

Mk-0354

Structural Information

Molecular Formula
C7H8N6
SMILES
C1CC2=C(C1)NN=C2C3=NNN=N3
InChI
InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
InChIKey
LTQYSJKGRPGMPO-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

31
Patents

176.08104 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08832 135.1
[M+Na]+ 199.07026 145.8
[M-H]- 175.07376 134.0
[M+NH4]+ 194.11486 151.8
[M+K]+ 215.04420 142.3
[M+H-H2O]+ 159.07830 125.6
[M+HCOO]- 221.07924 153.0
[M+CH3COO]- 235.09489 147.0
[M+Na-2H]- 197.05571 138.5
[M]+ 176.08049 133.2
[M]- 176.08159 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe