CID 17604958

933699-02-6

Structural Information

Molecular Formula
C7H7N3OS
SMILES
C1=CSC(=C1)C2=NOC(=N2)CN
InChI
InChI=1S/C7H7N3OS/c8-4-6-9-7(10-11-6)5-2-1-3-12-5/h1-3H,4,8H2
InChIKey
JXTFAMQWTHIXKT-UHFFFAOYSA-N
Compound name
(3-thiophen-2-yl-1,2,4-oxadiazol-5-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 132.9
[M+Na]+ 204.02021 144.6
[M-H]- 180.02371 139.0
[M+NH4]+ 199.06481 153.0
[M+K]+ 219.99415 142.9
[M+H-H2O]+ 164.02825 126.4
[M+HCOO]- 226.02919 155.0
[M+CH3COO]- 240.04484 147.9
[M+Na-2H]- 202.00566 136.4
[M]+ 181.03044 136.8
[M]- 181.03154 136.8
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

No patent data available for this compound.