CID 135742618

1-(thiophen-2-yl)-4,5-dihydro-1h-1,2,3,4-tetrazol-5-one

Structural Information

Molecular Formula
C5H4N4OS
SMILES
C1=CSC(=C1)N2C(=O)NN=N2
InChI
InChI=1S/C5H4N4OS/c10-5-6-7-8-9(5)4-2-1-3-11-4/h1-3H,(H,6,8,10)
InChIKey
MECGPFLJSDVABY-UHFFFAOYSA-N
Compound name
4-thiophen-2-yl-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

168.01057 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.017846 129.0
[M+Na]+ 190.999788 142.3
[M-H]- 167.003294 131.4
[M+NH4]+ 186.044393 148.1
[M+K]+ 206.973728 139.1
[M+H-H2O]+ 151.007830 121.9
[M+HCOO]- 213.008771 148.3
[M+CH3COO]- 227.024421 143.5
[M+Na-2H]- 188.985236 132.2
[M]+ 168.01002142 131.8
[M]- 168.01111858 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe