CID 60743

Tetrazolast

Structural Information

Molecular Formula
C10H6N8
SMILES
C1=CC=C2C(=C1)C=C(C3=NN=NN23)C4=NNN=N4
InChI
InChI=1S/C10H6N8/c1-2-4-8-6(3-1)5-7(9-11-14-15-12-9)10-13-16-17-18(8)10/h1-5H,(H,11,12,14,15)
InChIKey
LIRHINFDFZWXPL-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

85
Patents

238.07155 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.078826 151.3
[M+Na]+ 261.060768 165.8
[M-H]- 237.064274 150.6
[M+NH4]+ 256.105373 162.9
[M+K]+ 277.034708 158.7
[M+H-H2O]+ 221.068810 140.4
[M+HCOO]- 283.069751 168.3
[M+CH3COO]- 297.085401 162.7
[M+Na-2H]- 259.046216 160.0
[M]+ 238.07100142 154.1
[M]- 238.07209858 154.1
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