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

10
Patents

168.01057 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01785 129.0
[M+Na]+ 190.99979 142.3
[M-H]- 167.00329 131.4
[M+NH4]+ 186.04439 148.1
[M+K]+ 206.97373 139.1
[M+H-H2O]+ 151.00783 121.9
[M+HCOO]- 213.00877 148.3
[M+CH3COO]- 227.02442 143.5
[M+Na-2H]- 188.98524 132.2
[M]+ 168.01002 131.8
[M]- 168.01112 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