CID 542538

59918-86-4

Structural Information

Molecular Formula
C5H4N4S
SMILES
C1=CSC=C1C2=NNN=N2
InChI
InChI=1S/C5H4N4S/c1-2-10-3-4(1)5-6-8-9-7-5/h1-3H,(H,6,7,8,9)
InChIKey
WPLZTNHKMOKNBH-UHFFFAOYSA-N
Compound name
5-thiophen-3-yl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

31
Patents

152.01567 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02295 126.5
[M+Na]+ 175.00489 139.2
[M+NH4]+ 170.04949 134.6
[M+K]+ 190.97883 135.2
[M-H]- 151.00839 127.6
[M+Na-2H]- 172.99034 134.1
[M]+ 152.01512 128.9
[M]- 152.01622 128.9
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