CID 20467

5-aminotetrazole

Structural Information

Molecular Formula
CH3N5
SMILES
C1(=NNN=N1)N
InChI
InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)
InChIKey
ULRPISSMEBPJLN-UHFFFAOYSA-N
Compound name
2H-tetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

18227
Patents

85.03885 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.046126 112.1
[M+Na]+ 108.02807 121.7
[M-H]- 84.031574 109.1
[M+NH4]+ 103.07267 131.0
[M+K]+ 124.00201 120.4
[M+H-H2O]+ 68.036110 104.2
[M+HCOO]- 130.03705 133.6
[M+CH3COO]- 144.05270 125.6
[M+Na-2H]- 106.01352 120.8
[M]+ 85.038301 108.3
[M]- 85.039399 108.3
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