CID 135837103

1-methyl-1h-1,2,3,4-tetrazol-5-ol

Structural Information

Molecular Formula
C2H4N4O
SMILES
CN1C(=O)NN=N1
InChI
InChI=1S/C2H4N4O/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)
InChIKey
AOKKGXXYBPBKDR-UHFFFAOYSA-N
Compound name
4-methyl-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

745
Patents

100.03851 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.04579 115.3
[M+Na]+ 123.02773 126.5
[M-H]- 99.031234 113.0
[M+NH4]+ 118.07233 134.4
[M+K]+ 139.00167 125.2
[M+H-H2O]+ 83.035770 107.9
[M+HCOO]- 145.03671 136.4
[M+CH3COO]- 159.05236 161.4
[M+Na-2H]- 121.01318 123.1
[M]+ 100.03796 114.6
[M]- 100.03906 114.6
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