CID 47002355

2758005-44-4

Structural Information

Molecular Formula
C7H7N3OS
SMILES
C1=CSC=C1C2=NC(=NO2)CN
InChI
InChI=1S/C7H7N3OS/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h1-2,4H,3,8H2
InChIKey
MSFWWMBJLSTUIZ-UHFFFAOYSA-N
Compound name
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03099 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 134.3
[M+Na]+ 204.02021 146.3
[M+NH4]+ 199.06481 142.8
[M+K]+ 219.99415 142.8
[M-H]- 180.02371 138.4
[M+Na-2H]- 202.00566 141.1
[M]+ 181.03044 137.5
[M]- 181.03154 137.5
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.