CID 49657913

1219827-55-0

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1=CSC(=C1)C2=NN=C(O2)N
InChI
InChI=1S/C7H7N3OS/c1-4-2-5(12-3-4)6-9-10-7(8)11-6/h2-3H,1H3,(H2,8,10)
InChIKey
DXAHJELNLDTMBP-UHFFFAOYSA-N
Compound name
5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03099 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 133.3
[M+Na]+ 204.02021 145.9
[M-H]- 180.02371 139.8
[M+NH4]+ 199.06481 153.8
[M+K]+ 219.99415 144.1
[M+H-H2O]+ 164.02825 127.2
[M+HCOO]- 226.02919 155.3
[M+CH3COO]- 240.04484 148.7
[M+Na-2H]- 202.00566 136.1
[M]+ 181.03044 137.6
[M]- 181.03154 137.6
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

No patent data available for this compound.