CID 135418587

1h-tetrazol-5-ol

Structural Information

Molecular Formula
CH2N4O
SMILES
C1(=O)NN=NN1
InChI
InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)
InChIKey
JXBKZAYVMSNKHA-UHFFFAOYSA-N
Compound name
1,4-dihydrotetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5039
Patents

86.02286 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.030136 111.8
[M+Na]+ 109.01208 122.0
[M-H]- 85.015584 107.8
[M+NH4]+ 104.05668 130.4
[M+K]+ 124.98602 120.1
[M+H-H2O]+ 69.020120 104.4
[M+HCOO]- 131.02106 131.7
[M+CH3COO]- 145.03671 154.7
[M+Na-2H]- 106.99753 120.4
[M]+ 86.022311 108.5
[M]- 86.023409 108.5
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