CID 933388

2-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CSC1=NN=C(O1)CCN
InChI
InChI=1S/C5H9N3OS/c1-10-5-8-7-4(9-5)2-3-6/h2-3,6H2,1H3
InChIKey
FKFYRYHLJJJXQT-UHFFFAOYSA-N
Compound name
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

159.04663 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 130.1
[M+Na]+ 182.03585 139.8
[M-H]- 158.03935 131.9
[M+NH4]+ 177.08045 149.3
[M+K]+ 198.00979 138.9
[M+H-H2O]+ 142.04389 123.5
[M+HCOO]- 204.04483 148.7
[M+CH3COO]- 218.06048 175.8
[M+Na-2H]- 180.02130 133.7
[M]+ 159.04608 133.0
[M]- 159.04718 133.0
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