CID 9170638

1094417-07-8

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CCSC1=NN=C(O1)CN
InChI
InChI=1S/C5H9N3OS/c1-2-10-5-8-7-4(3-6)9-5/h2-3,6H2,1H3
InChIKey
SJLUMKLDEDPDSA-UHFFFAOYSA-N
Compound name
(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 130.1
[M+Na]+ 182.035848 139.8
[M-H]- 158.039354 131.9
[M+NH4]+ 177.080453 149.3
[M+K]+ 198.009788 138.9
[M+H-H2O]+ 142.043890 123.5
[M+HCOO]- 204.044831 148.7
[M+CH3COO]- 218.060481 175.8
[M+Na-2H]- 180.021296 133.7
[M]+ 159.04608142 133.0
[M]- 159.04717858 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

No patent data available for this compound.