CID 91662783

4-(1h-1,2,3,4-tetrazol-5-yl)oxan-4-ol

Structural Information

Molecular Formula
C6H10N4O2
SMILES
C1COCCC1(C2=NNN=N2)O
InChI
InChI=1S/C6H10N4O2/c11-6(1-3-12-4-2-6)5-7-9-10-8-5/h11H,1-4H2,(H,7,8,9,10)
InChIKey
ODAWDOIITYAMQO-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 134.6
[M+Na]+ 193.06959 141.6
[M-H]- 169.07309 133.5
[M+NH4]+ 188.11419 149.9
[M+K]+ 209.04353 140.5
[M+H-H2O]+ 153.07763 126.0
[M+HCOO]- 215.07857 149.2
[M+CH3COO]- 229.09422 145.6
[M+Na-2H]- 191.05504 141.6
[M]+ 170.07982 129.4
[M]- 170.08092 129.4
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.