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]+ 171.087646 134.6
[M+Na]+ 193.069588 141.6
[M-H]- 169.073094 133.5
[M+NH4]+ 188.114193 149.9
[M+K]+ 209.043528 140.5
[M+H-H2O]+ 153.077630 126.0
[M+HCOO]- 215.078571 149.2
[M+CH3COO]- 229.094221 145.6
[M+Na-2H]- 191.055036 141.6
[M]+ 170.07982142 129.4
[M]- 170.08091858 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.