CID 518455

N-ethyl-1h-1,2,3,4-tetrazol-5-amine

Structural Information

Molecular Formula
C3H7N5
SMILES
CCNC1=NNN=N1
InChI
InChI=1S/C3H7N5/c1-2-4-3-5-7-8-6-3/h2H2,1H3,(H2,4,5,6,7,8)
InChIKey
AYZFMCOIISJDHU-UHFFFAOYSA-N
Compound name
N-ethyl-2H-tetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

113.070145 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.077421 120.7
[M+Na]+ 136.059363 129.4
[M-H]- 112.062869 117.9
[M+NH4]+ 131.103968 138.7
[M+K]+ 152.033303 127.9
[M+H-H2O]+ 96.067405 112.4
[M+HCOO]- 158.068346 142.2
[M+CH3COO]- 172.083996 166.9
[M+Na-2H]- 134.044811 129.4
[M]+ 113.06959642 118.6
[M]- 113.07069358 118.6
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