CID 58708479

2230798-34-0

Structural Information

Molecular Formula
C8H8N6
SMILES
C1[C@H]2[C@@H]1C3=C(C2)C(=NN3)C4=NNN=N4
InChI
InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m1/s1
InChIKey
DKSPRNJUDCWTID-QWWZWVQMSA-N
Compound name
(2R,4R)-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

188.08104 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08832 152.6
[M+Na]+ 211.07026 166.9
[M-H]- 187.07376 153.1
[M+NH4]+ 206.11486 165.6
[M+K]+ 227.04420 159.5
[M+H-H2O]+ 171.07830 144.4
[M+HCOO]- 233.07924 170.1
[M+CH3COO]- 247.09489 163.9
[M+Na-2H]- 209.05571 154.9
[M]+ 188.08049 154.6
[M]- 188.08159 154.6
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

patents stripe