CID 135472943

69048-98-2

Structural Information

Molecular Formula
C3H6N4O
SMILES
CCN1C(=O)NN=N1
InChI
InChI=1S/C3H6N4O/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)
InChIKey
YVVZUMUVGRLSRZ-UHFFFAOYSA-N
Compound name
4-ethyl-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

114.05416 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06144 119.8
[M+Na]+ 137.04338 130.5
[M-H]- 113.04688 117.3
[M+NH4]+ 132.08798 138.3
[M+K]+ 153.01732 129.0
[M+H-H2O]+ 97.051420 112.2
[M+HCOO]- 159.05236 140.6
[M+CH3COO]- 173.06801 164.4
[M+Na-2H]- 135.02883 127.1
[M]+ 114.05361 119.4
[M]- 114.05471 119.4
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