CID 17680497

Methyl({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CNCC1=NC(=NO1)C2=CC=CS2
InChI
InChI=1S/C8H9N3OS/c1-9-5-7-10-8(11-12-7)6-3-2-4-13-6/h2-4,9H,5H2,1H3
InChIKey
DGKMEQUJLGMADY-UHFFFAOYSA-N
Compound name
N-methyl-1-(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

195.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 137.2
[M+Na]+ 218.035848 148.5
[M-H]- 194.039354 143.7
[M+NH4]+ 213.080453 157.1
[M+K]+ 234.009788 147.0
[M+H-H2O]+ 178.043890 130.6
[M+HCOO]- 240.044831 159.6
[M+CH3COO]- 254.060481 152.1
[M+Na-2H]- 216.021296 141.2
[M]+ 195.04608142 142.4
[M]- 195.04717858 142.4
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.