CID 504046

1h-tetrazol-5-ylurea

Structural Information

Molecular Formula
C2H4N6O
SMILES
C1(=NNN=N1)NC(=O)N
InChI
InChI=1S/C2H4N6O/c3-1(9)4-2-5-7-8-6-2/h(H4,3,4,5,6,7,8,9)
InChIKey
QGFOBPFXLWTDGX-UHFFFAOYSA-N
Compound name
2H-tetrazol-5-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

128.04466 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05194 122.0
[M+Na]+ 151.03388 130.3
[M-H]- 127.03738 119.3
[M+NH4]+ 146.07848 138.7
[M+K]+ 167.00782 129.0
[M+H-H2O]+ 111.04192 113.5
[M+HCOO]- 173.04286 143.7
[M+CH3COO]- 187.05851 169.7
[M+Na-2H]- 149.01933 129.6
[M]+ 128.04411 117.8
[M]- 128.04521 117.8
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