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

literature stripe

Patent stripe

patents stripe